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107-95-9

Basic Information
CAS No.: 107-95-9
Name: beta-Alanine
Molecular Structure:
Molecular Structure of 107-95-9 (beta-Alanine)
Formula: C3H7NO2
Molecular Weight: 89.09
Synonyms: β-Aminopropionic acid;omega-Aminopropionic acid;beta-Alanine (6CI,8CI,9CI);Propanoic acid, 3-amino-;Alanine, beta-;beta-aminopropionic acid;3-Aminopropionsaeure;a-Alanine;Alanine (beta-);H-β-Alanine;H-β-Ala-OH;3-amino-;.beta.-Aminopropionic acid;3-Aminopropionic acid;beta-Aminopropionsaeure;2-Carboxyethylamine;3-aminopropanoate;Abufene;3-azaniumylpropanoate;3-Aminopropanoic acid;
EINECS: 203-536-5
Density: 1.166 g/cm3
Melting Point: 202 °C (dec.)(lit.)
Boiling Point: 237.1 °C at 760 mmHg
Flash Point: 97.2 °C
Solubility: water: 1 M at 20 °C, clear, colorless
Appearance: white crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 24/25-36-26
Transport Information:
PSA: 63.32000
LogP: 0.12010
Synthetic route

A

79-50-5

pantolactone

B

107-95-9

3-amino propanoic acid

Conditions
ConditionsYield
With hydrogenchloride In water at 80℃; for 1.75h; Rate constant;A 100%
B 100%
75033-16-8

pantothenic acid sodium salt

A

79-50-5

pantolactone

B

107-95-9

3-amino propanoic acid

Conditions
ConditionsYield
With hydrogenchloride In water at 80℃; for 1.25h; Rate constant;A 100%
B 100%
3303-84-2

3-(tert-butyloxycarbonylamino)propionic acid

107-95-9

3-amino propanoic acid

Conditions
ConditionsYield
With water at 170℃; for 0.05h; Microwave irradiation;100%
151-18-8

2-cyanoethylamine

107-95-9

3-amino propanoic acid

Conditions
ConditionsYield
In water at 35℃; for 6h; Temperature; Enzymatic reaction;98.4%
With water; sodium hydroxide at 100 - 110℃; under 37503.8 Torr; for 0.025h; Concentration; Pressure; Temperature; Flow reactor;98%
Stage #1: 2-cyanoethylamine With hydrogenchloride In water
Stage #2: In water at 40℃; for 8h; pH=7; Enzymatic reaction;
Stage #3: With hydrogenchloride In water at 40℃; for 8h; pH=6; Kinetics; Enzymatic reaction;
90%
504-88-1

3-nitropropionic acid

107-95-9

3-amino propanoic acid

Conditions
ConditionsYield
With ammonium formate; palladium on activated charcoal In methanol for 0.333333h; Ambient temperature;98%
With hydrogen at 100℃; under 7500.75 Torr; for 12h; Sealed tube; Autoclave;87%
105-34-0

methyl 2-cyanoacetate

107-95-9

3-amino propanoic acid

Conditions
ConditionsYield
Stage #1: methyl 2-cyanoacetate With hydrogen In ethanol at 100℃; under 7500.75 Torr; for 5h; Autoclave;
Stage #2: With water In ethanol
94%
With sulfuric acid; acetic acid; platinum Hydrogenation.unter Druck und Hydrolyse der Reaktionsprodukts;
With hydrogenchloride; palladium Hydrogenation.Hydrolyse des Reaktionsprodukts;
105-56-6

ethyl 2-cyanoacetate

107-95-9

3-amino propanoic acid

Conditions
ConditionsYield
Stage #1: ethyl 2-cyanoacetate With hydrogen In ethanol at 80℃; under 3750.38 Torr; for 10h; Autoclave;
Stage #2: With water In ethanol
92%
With hydrogenchloride; palladium Hydrogenation.Hydrolyse des Reaktionsprodukts;
With ethanol; nickel Hydrogenation.Hydrolyse des Reaktionsprodukts;
125506-43-6

N-Diphenylmethylene-β-alanine benzyl ester

107-95-9

3-amino propanoic acid

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In methanol under 760 Torr; for 14h; Ambient temperature;90%
95503-55-2

N-benzylisoxazolidin-5-one

107-95-9

3-amino propanoic acid

Conditions
ConditionsYield
With palladium on activated charcoal; hydrogen In 1,4-dioxane; water at 60℃; for 16h;85%
6915-18-0

2-butenedioic acid

107-95-9

3-amino propanoic acid

Conditions
ConditionsYield
With aspartate-α-decarboxylase; 3-methylaspartate ammonia lyase; ammonium chloride; magnesium chloride In aq. buffer at 25℃; for 24h; pH=8; Enzymatic reaction;85%
305-84-0

Carnosine

A

107-95-9

3-amino propanoic acid

B

[Co(1,4,7,10-tetraazadecane)(histidine)](ClO4)2*2H2O

[Co(1,4,7,10-tetraazadecane)(histidine)](ClO4)2*2H2O

Conditions
ConditionsYield
With lithium hydroxide; [cis-β-Co(1,4,7,10-tetraazadecane)Cl2]Cl In water at 20 - 45℃; for 2.25h; pH=7.7 - 8;A 84%
B n/a
110-17-8

(2E)-but-2-enedioic acid

107-95-9

3-amino propanoic acid

Conditions
ConditionsYield
With L-aspartase from E.coli; L-aspartate-α-decarboxylase from Corynebacterium glutamicum; ammonia at 37℃; for 12h; pH=7; Reagent/catalyst; Enzymatic reaction;82%
16856-13-6

(+)-β-methyl-L-aspartate hydrochloride

107-95-9

3-amino propanoic acid

Conditions
ConditionsYield
In various solvent(s) from 160 up to 180 deg C over 90 min;62%
64-18-6

formic acid

107-11-9

1-amino-2-propene

A

107-10-8

propylamine

B

10569-72-9

DL-3-aminoisobutyric acid

C

56-40-6

glycine

D

107-95-9

3-amino propanoic acid

E

56-12-2

4-amino-n-butyric acid

Conditions
ConditionsYield
With hydrogen; oxygen In water for 3h; Product distribution; various unsaturated amines; investigation of the direct carboxylation of C=C bond, the effect of formic acid concentration as well as the flame composition on product(s); radical mechanism is proposed;A n/a
B 38%
C n/a
D n/a
E 5%
64-18-6

formic acid

107-11-9

1-amino-2-propene

A

10569-72-9

DL-3-aminoisobutyric acid

B

56-40-6

glycine

C

107-95-9

3-amino propanoic acid

D

56-12-2

4-amino-n-butyric acid

Conditions
ConditionsYield
With hydrogen; oxygen In water for 3h; Further byproducts given;A 38%
B n/a
C n/a
D 5%

acrylic acid ammonium salt

107-95-9

3-amino propanoic acid

Conditions
ConditionsYield
With adamantane; ammonium chloride In solid high-pressure extrusion (15-30 kbar);10%
at -173.1℃; under 75006 Torr;3.5 % Chromat.
107-10-8

propylamine

64-18-6

formic acid

A

10569-72-9

DL-3-aminoisobutyric acid

B

56-40-6

glycine

C

2835-81-6

2-aminobutanoic acid

D

107-95-9

3-amino propanoic acid

E

56-12-2

4-amino-n-butyric acid

Conditions
ConditionsYield
In water at 10 - 20℃; for 1h; Product distribution; contact glow discharge electrolysis; variation of pH, effect of time;A 9.8%
B 0.2%
C 0.9%
D 3.4%
E 8.1%
107-10-8

propylamine

64-18-6

formic acid

A

10569-72-9

DL-3-aminoisobutyric acid

B

2835-81-6

2-aminobutanoic acid

C

107-95-9

3-amino propanoic acid

D

56-12-2

4-amino-n-butyric acid

Conditions
ConditionsYield
In water at 10 - 20℃; for 1h; contact glow discharge electrolysis (500-600 V, 45 mA); Further byproducts given;A 9.8%
B 0.9%
C 3.4%
D 8.1%
117614-90-1

(2S,3'S,5'R,6'R)-6'-(3-Carboxy-propyl)-[2,3']bipiperidinyl-5'-carboxylic acid

A

3105-95-1

pipecolinic acid

B

107-95-9

3-amino propanoic acid

C

56-12-2

4-amino-n-butyric acid

Conditions
ConditionsYield
With chromium(VI) oxide In sulfuric acid at 100℃; for 6h;A 9%
B n/a
C n/a
64-18-6

formic acid

75-04-7

ethylamine

A

302-84-1

serin

B

56-40-6

glycine

C

302-72-7

rac-Ala-OH

D

107-95-9

3-amino propanoic acid

Conditions
ConditionsYield
In water at 10 - 20℃; for 1h; contact glow discharge electrolysis (500-600 V, 45 mA);A 0.1%
B 0.1%
C 1.5%
D 3.1%
141-53-7

sodium formate

75-04-7

ethylamine

A

302-84-1

serin

B

56-40-6

glycine

C

302-72-7

rac-Ala-OH

D

107-95-9

3-amino propanoic acid

Conditions
ConditionsYield
In water at 10 - 20℃; for 1h; contact glow discharge electrolysis (500-600 V, 45 mA);A 1%
B 0.3%
C 3.1%
D 0.6%
110-89-4

piperidine

107-95-9

3-amino propanoic acid

Conditions
ConditionsYield
With chromium(III) oxide; sulfuric acid
590-92-1

3-Bromopropionic acid

107-95-9

3-amino propanoic acid

Conditions
ConditionsYield
With ammonia; water at 20℃;
With ammonia; water at 70℃;
590-92-1

3-Bromopropionic acid

A

505-47-5

di(2-carboxyethyl)amine

B

107-95-9

3-amino propanoic acid

Conditions
ConditionsYield
With ammonia; water
123-56-8

Succinimide

107-95-9

3-amino propanoic acid

Conditions
ConditionsYield
With alkaline NaOCl at 60 - 70℃;
With potassium hydroxide; bromine at 50 - 60℃;
With potassium hydroxide; bromine at 55 - 60℃;
3589-45-5

3-phthalimidopropionitrile

107-95-9

3-amino propanoic acid

Conditions
ConditionsYield
With hydrogenchloride
With sulfuric acid
111-17-1

4-thiaheptane-1,7-dioic acid

107-95-9

3-amino propanoic acid

Conditions
ConditionsYield
With ammonia; water; diphenylamine at 200℃;
With ammonia; water; diphenylamine at 200℃;
85-44-9

phthalic anhydride

107-95-9

3-amino propanoic acid

3339-73-9

3-phthalimidopropanoic acid

Conditions
ConditionsYield
at 170℃; for 6h;100%
at 185 - 200℃; for 0.25h;98.4%
With triethylamine In toluene for 2h; Reagent/catalyst; Reflux;97.7%
108-24-7

acetic anhydride

107-95-9

3-amino propanoic acid

3025-95-4

N-acetyl-β-alanine

Conditions
ConditionsYield
In methanol at 60℃; for 6h;100%
In methanol for 6h; Reflux;100%
In chloroform at 60℃; for 5h; Concentration; Solvent; Temperature;95.4%
67-56-1

methanol

107-95-9

3-amino propanoic acid

3196-73-4

methyl 3-aminopropanoate hydrochloride

Conditions
ConditionsYield
Stage #1: methanol With thionyl chloride for 1h; Cooling with ice;
Stage #2: 3-amino propanoic acid at 20 - 66℃; for 6.5h;
100%
With thionyl chloride for 3h; Reflux;100%
With thionyl chloride at 0 - 20℃;99%
64-17-5

ethanol

107-95-9

3-amino propanoic acid

924-73-2

3-amino-propionic acid ethyl ester

Conditions
ConditionsYield
With thionyl chloride at 20 - 50℃;100%
With hydrogenchloride
With thionyl chloride
67-56-1

methanol

107-95-9

3-amino propanoic acid

4138-35-6

methyl 3-aminopropanoate

Conditions
ConditionsYield
With thionyl chloride at 0 - 20℃; for 2h; Product distribution / selectivity; Heating / reflux;100%
With thionyl chloride Heating / reflux;79.08%
With hydrogenchloride
98-03-3

thiophene-2-carbaldehyde

107-95-9

3-amino propanoic acid

101153-25-7

3-(N-thiophene-2-aldimino)propanoic acid

Conditions
ConditionsYield
piperidine In ethanol for 2h; Heating;100%
1072-83-9

2-Acetylpyrrole

107-95-9

3-amino propanoic acid

131526-01-7

(pyrrole-2-acetylidene-amino)propionoc acid

Conditions
ConditionsYield
With piperidine In ethanol Heating;100%
24424-99-5

di-tert-butyl dicarbonate

107-95-9

3-amino propanoic acid

3303-84-2

3-(tert-butyloxycarbonylamino)propionic acid

Conditions
ConditionsYield
With sodium hydroxide In water; tert-butyl alcohol at 20℃;100%
With sodium hydroxide In 1,4-dioxane; water at 0℃;100%
With sodium hydroxide In tetrahydrofuran at 20℃; for 16h;100%
100-14-1

4-nitrobenzyl chloride

107-95-9

3-amino propanoic acid

294201-15-3

N-4-nitrobenzyl-β-alanine

Conditions
ConditionsYield
With triethylamine In acetonitrile at 20℃; for 20h;100%
2937-50-0

Allyl chloroformate

107-95-9

3-amino propanoic acid

111695-91-1

N-(allyloxycarbonyl)-3-aminopropionic acid

Conditions
ConditionsYield
With sodium hydroxide In tetrahydrofuran at 20℃; for 1h; Acylation;100%
With sodium carbonate In 1,4-dioxane; water at 20℃; for 48h;97%
With sodium hydroxide In tetrahydrofuran; 1,4-dioxane at 0 - 20℃; for 3h;52%
With sodium hydroxide In water at 5℃;46%
Stage #1: 3-amino propanoic acid With sodium carbonate In water
Stage #2: Allyl chloroformate In water at 0 - 20℃; for 32h; pH=> 9;
Stage #3: With hydrogenchloride In water at 0℃; pH=1 - 2;
122641-57-0

2,3-Bis(2-methylbenzothiophen-3-yl)maleic anhydride

107-95-9

3-amino propanoic acid

1034806-12-6

3,4-bis(2-methylbenzo[b]thiophen-3-yl)-1-(propanoic acid-3-yl)-1H-pyrrole-2,5-dione

Conditions
ConditionsYield
at 150℃; for 1h;100%
135544-68-2

N-(allyloxycarbonyloxy)succinimide

107-95-9

3-amino propanoic acid

111695-91-1

N-(allyloxycarbonyl)-3-aminopropionic acid

Conditions
ConditionsYield
With sodium hydroxide In water pH=10; Cooling with ice;100%
2052-49-5

tetra(n-butyl)ammonium hydroxide

107-95-9

3-amino propanoic acid

104761-05-9

β-alanine tetrabutylammonium salt

Conditions
ConditionsYield
In methanol; water at 0 - 20℃; for 15h;100%
In methanol; water at 22℃; for 15h;80%
32276-56-5

3-carboxybenzoyl chloride

107-95-9

3-amino propanoic acid

125038-74-6

isophthaloylbis-β-alanine

Conditions
ConditionsYield
With sodium hydroxide In water; toluene at 10℃;100%
79-11-8

chloroacetic acid

107-95-9

3-amino propanoic acid

N,N-bis(carboxymethyl)-β-alanine trilithium salt

Conditions
ConditionsYield
Stage #1: 3-amino propanoic acid With lithium hydroxide In water at 55℃; for 1.08333h; pH=9 - 9.5;
Stage #2: chloroacetic acid In water at 45 - 50℃; for 4.5h;
Stage #3: With potassium iodide In water at 92℃; for 8.5h; Reagent/catalyst;
99.9%
85-44-9

phthalic anhydride

112-42-5

undecyl alcohol

113170-57-3

tin (II) oxalate

107-95-9

3-amino propanoic acid

undecyl 3-phthalimidoproprionate

Conditions
ConditionsYield
99.6%
501-53-1

benzyl chloroformate

107-95-9

3-amino propanoic acid

2304-94-1

3-(benzyloxycarbonylamino)propanoic acid

Conditions
ConditionsYield
With sodium hydroxide In water at 0 - 20℃;99%
With sodium carbonate In 1,4-dioxane; water at 20℃;96%
With sodium carbonate In 1,4-dioxane; water at 0 - 20℃;92%
64-18-6

formic acid

107-95-9

3-amino propanoic acid

14565-43-6

3-formylaminopropionic acid

Conditions
ConditionsYield
Stage #1: formic acid; 3-amino propanoic acid at 20 - 55℃;
Stage #2: With acetic anhydride at 20 - 55℃; for 2h;
Stage #3: With water Heating; Reduced pressure;
99%
Stage #1: formic acid With acetic anhydride at 45℃; for 1h;
Stage #2: 3-amino propanoic acid at 20℃; for 24h;
93%
With acetic anhydride at 50℃; for 2h; Inert atmosphere;90%
814-68-6

acryloyl chloride

107-95-9

3-amino propanoic acid

16753-07-4

N-Acryloyl-beta-alanine

Conditions
ConditionsYield
With potassium hydroxide In methanol 1) 0 deg C, 1 h, 2) r.t., 4 h;99%
In acetonitrile at 35 - 40℃; for 6h;87%
With sodium hydroxide In water for 1h; Cooling with ice;68.8%
107-95-9

3-amino propanoic acid

40391-99-9

pamidronate

Conditions
ConditionsYield
With methanesulfonic acid; phosphorous acid; phosphorus trichloride at 65 - 70℃; Inert atmosphere;99%
Stage #1: 3-amino propanoic acid With phosphorus trichloride In methanesulfonic acid at 80 - 85℃;
Stage #2: With water In methanesulfonic acid at 105℃; for 4h;
85%
With phosphonic Acid; phosphorus trichloride In chlorobenzene at 100℃; for 3h; Inert atmosphere;82%
108-24-7

acetic anhydride

107-95-9

3-amino propanoic acid

88718-90-5

N-acetyl β-alanyl anhydride

Conditions
ConditionsYield
Heating;99%
407-25-0

trifluoroacetic anhydride

107-95-9

3-amino propanoic acid

50632-82-1

3-(2,2,2-trifluoroacetamido)propanoic acid

Conditions
ConditionsYield
In tetrahydrofuran from -5 deg C up to r.t. over 1 h.;99%
82911-69-1

N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide

107-95-9

3-amino propanoic acid

35737-10-1

N-Fmoc-β-alanine

Conditions
ConditionsYield
With sodium hydrogencarbonate In water; acetonitrile at 20℃;99%
With triethylamine In 1,4-dioxane; water at 20℃; for 0.5h;95%
With triethylamine In water for 0.5h;95%
107-18-6

allyl alcohol

107-95-9

3-amino propanoic acid

β-alanine allyl ester hydrochloride

Conditions
ConditionsYield
With hydrogenchloride at 25℃; for 1h;99%
With hydrogenchloride99%
107-95-9

3-amino propanoic acid

5722-81-6

3-aminopropionyl chloride

Conditions
ConditionsYield
With thionyl chloride In dichloromethane for 1h; Heating;99%
14223-48-4

p-chlorophenyl isoselenocyanate

107-95-9

3-amino propanoic acid

1310370-52-5

C10H11ClN2O2Se

Conditions
ConditionsYield
In 1,4-dioxane at 100℃; for 15h;99%
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    beta-Alanine

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    Name:β-Alanine Type: Food Additives CAS:107-95-9 Purity:99% Appearance:White powder Storage:Sealed storage Packing Specification:1kg, 5kg, 10kg,25kg Molecular Formula:C3 H7 N O2 Molecular Weight:89.09 Application:Food indu

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    β-Alanine

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  • CAS:107-95-9  beta-Alanine

  • Casno:

    107-95-9

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Specification

1. Introduction of β-Alanine

For being one kind of powder, β-Alanine has its IUPAC name of 3-aminopropanoic acid. It is an amino acid formed in vivo by the degradation of dihydrouracil and carnosine. It is a component of the naturally occurring peptides carnosine and anserine and also of pantothenic acid (vitamin B5) which itself is a component of coenzyme A. Besides, it should be stored in sealed container, and put in a cool and dry place, away from oxidant. As to the application of β-Alanine, it can be used as electroplating corrosion inhibitors and biochemical reagents.

2. Properties of β-Alanine

Physical properties about this chemical are: (1)ACD/LogP: -0.86; (2)ACD/LogD (pH 5.5): -3.36; (3)ACD/LogD (pH 7.4): -3.36; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.463; (13)Molar Refractivity: 21.04 cm3; (14)Molar Volume: 76.3 cm3; (15)Polarizability: 8.34 ×10-24cm3; (16)Surface Tension: 49.3 dyne/cm; (17)Density: 1.166 g/cm3; (18)Flash Point: 97.2 °C; (19)Enthalpy of Vaporization: 52.2 kJ/mol; (20)Boiling Point: 237.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0156 mmHg at 25°C.

3. Structure Descriptors of β-Alanine

You could convert the following datas into the molecular structure:
(1). InChI: InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
(2). InChIKey: InChIKey=UCMIRNVEIXFBKS-UHFFFAOYSA-N
(3). Smiles: C(C(O)=O)CN

4. Safety Information of β-Alanine

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 24/25-36-26
WGK Germany: 3
RTECS UA2369200
HS Code 29224920

5. Preparation of β-Alanine

Preparation of β-Alanine: it can be prepared by β-aminopropylnitrile through hydrolysis. In addition, it can be prepared by 3-nitro-propionic acid. This reaction will need reagent anhydrous ammonium formate, catalyst 10 percent Pd-C and solvent methanol. The reaction time is 20 minutes with ambient temperature. The yield is about 98%.

β-Alanine can be prepared by 3-nitro-propionic acid

6. Uses of β-Alanine

Uses of β-Alanine: it is used as a raw material to synthesize calcium pantothenate. In addition, it can be used to get azetidin-2-one. This reaction will need reagents methanesulfonyl chloride and NaHCO3, and solvent acetonitrile. The yield is about 80% at the reaction temperature of 80 °C.

β-Alanine can be used to get azetidin-2-one

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