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Pentanedioic acid,3-amino-

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Name

Pentanedioic acid,3-amino-

EINECS N/A
CAS No. 1948-48-7 Density 1.409 g/cm3
PSA 100.62000 LogP -0.03660
Solubility N/A Melting Point 233 °C (decomp)
Formula C5H9NO4 Boiling Point 329.8 °C at 760 mmHg
Molecular Weight 147.131 Flash Point 153.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1948-48-7 (3-AMINOPENTANEDIOIC ACID) Hazard Symbols N/A
Synonyms

BETA-GLUTAMIC ACID;3-AMINOPENTANEDIOIC ACID;B-glutamic acid;3-aminoglutaric acid;3-azanylpentanedioic acid;Pentanedioic acid,3-aMino-

Article Data 10

Pentanedioic acid,3-amino- Synthetic route

1724-02-3

glutaconic acid

1948-48-7

3-aminopentanedioic acid

Conditions
ConditionsYield
With ammonia Heating;60%

ammonium hydrogen trans-pent-2-ene-1,5-dioate

1948-48-7

3-aminopentanedioic acid

Conditions
ConditionsYield
at 170℃; for 2h; Inert atmosphere;32%
51865-85-1

1,3-diethyl 2-aminoglutarate

1948-48-7

3-aminopentanedioic acid

Conditions
ConditionsYield
With hydrogenchloride
With barium dihydroxide
Multi-step reaction with 2 steps
2: aq. Ba(OH)2
View Scheme
92788-40-4

β-Acetamino-glutarsaeure-diaethylester

1948-48-7

3-aminopentanedioic acid

Conditions
ConditionsYield
With barium dihydroxide
120341-34-6

(2,6-Dioxo-tetrahydro-pyran-4-yl)-carbamic acid tert-butyl ester

1948-48-7

3-aminopentanedioic acid

Conditions
ConditionsYield
With hydrogenchloride 1) 130 deg C, 1 h, 2) 110 deg C; Yield given. Multistep reaction;
73178-43-5

(E)-diethyl glutaconate

1948-48-7

3-aminopentanedioic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: ethanol; NH3
2: aqueous HCl
View Scheme
105-50-0

diethyl 1,3-acetonedicarboxylate

1948-48-7

3-aminopentanedioic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: ethanol / anschliessendes Behandeln mit amalgamiertem Aluminium und wenig H2O
2: Ba(OH)2
View Scheme
2049-67-4

diethyl glutaconate

1948-48-7

3-aminopentanedioic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: NH3
3: aq. Ba(OH)2
View Scheme
628-48-8

glutaconic acid

1948-48-7

3-aminopentanedioic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: ammonium hydroxide / water / 0 °C
2: 2 h / 170 °C / Inert atmosphere
View Scheme
112545-50-3, 74819-83-3

ethyl (+/-)-(4-oxoazetidin-2-yl)acetate

A

1948-48-7

3-aminopentanedioic acid

B

77960-43-1

2-(4-oxoazetidin-2-yl)acetic acid

Conditions
ConditionsYield
With Candida antarctica Lipase A In aq. phosphate buffer at 25℃; for 1h; pH=7.5; Catalytic behavior; Reagent/catalyst; Time; Enzymatic reaction;A 60 %Spectr.
B 40 %Spectr.

Pentanedioic acid,3-amino- Specification

The Pentanedioic acid,3-amino-, with the CAS registry number 1948-48-7, is also known as 3-Aminoglutaric acid. This chemical's molecular formula is C5H9NO4 and molecular weight is 147.13. What's more, its systematic name and its IUPAC name are the same which is called 3-Aminopentanedioic acid.

Physical properties about Pentanedioic acid,3-amino-: (1)ACD/LogP: -1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.84; (4)ACD/LogD (pH 7.4): -4.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 31.83 cm3; (15)Molar Volume: 104.3 cm3; (16)Polarizability: 12.62×10-24cm3; (17)Surface Tension: 69.2 dyne/cm; (18)Density: 1.409 g/cm3; (19)Flash Point: 153.3 °C; (20)Enthalpy of Vaporization: 62.91 kJ/mol; (21)Boiling Point: 329.8 °C at 760 mmHg; (22)Vapour Pressure: 3.4E-05 mmHg at 25 °C.

Preparation of Pentanedioic acid,3-amino-: this chemical can be prepared by Pentenedioic acid. The reaction occurs with reagent NH3 and other condition of heating. The yield is 60 %.



Uses of Pentanedioic acid,3-amino-: it is used to produce other chemicals. For example, it is used to produce N-Benzyloxycarbonyl 3-amino-glutaric acid. This reaction needs reagent NaOH. The yield is 73 %.



You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC(N)CC(=O)O
(2) InChI: InChI=1/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10)
(3) InChIKey: BBJIPMIXTXKYLZ-UHFFFAOYAG

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