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N-Methyl-DL-alanine

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Name

N-Methyl-DL-alanine

EINECS N/A
CAS No. 600-21-5 Density 1.048 g/cm3
PSA 49.33000 LogP 0.87180
Solubility N/A Melting Point 317 °C
Formula C4H9NO2 Boiling Point 190.1 °C at 760 mmHg
Molecular Weight 103.121 Flash Point 68.8 °C
Transport Information N/A Appearance white crystalline powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 600-21-5 (N-ME-DL-ALA-OH HCL) Hazard Symbols Xi
Synonyms

Methylalanine, dl-;N-Methylalanine;

Article Data 23

N-Methyl-DL-alanine Synthetic route

598-72-1

2-Bromopropionic acid

74-89-5

methylamine

600-21-5

N-methylalanine

Conditions
ConditionsYield
In ethanol at 0 - 20℃; for 48h;90%
With water
101692-94-8

(rac)-N-benzyl-N-methylalanine

600-21-5

N-methylalanine

Conditions
ConditionsYield
With 10% Pd/C; hydrogen In acetic acid70%
With hydrogen; palladium on activated charcoal
7464-68-8

1,2-dimethyl-4-nitro-1H-imidazole

600-21-5

N-methylalanine

Conditions
ConditionsYield
With hydrogenchloride; tin(ll) chloride
57658-79-4

1,4-dimethyl-5-nitro-1H-imidazole

A

871885-96-0

1,5-dimethyl-1H-imidazol-4-ylamine

B

600-21-5

N-methylalanine

Conditions
ConditionsYield
With hydrogenchloride; tin(ll) chloride at 10℃;
16752-54-8

methylaminopropionitrile

600-21-5

N-methylalanine

Conditions
ConditionsYield
With hydrogenchloride
With potassium hydroxide
74-89-5

methylamine

535-13-7

2-chloro-propanoic acid, ethyl ester

600-21-5

N-methylalanine

Conditions
ConditionsYield
With water at 120 - 130℃; Destillieren des Produkts und Kochen den Rueckstand mit Baryt;
74-89-5

methylamine

535-11-5, 41978-69-2

Ethyl 2-bromopropionate

600-21-5

N-methylalanine

Conditions
ConditionsYield
With water at 140℃; Kochen des das erhaltene Gemisch der α-Methyl-amino-propionsaeure und ihres Methylamids mit Barytwasser;
98026-07-4

2-(1-Methyl-hydrazino)-propionsaeure

600-21-5

N-methylalanine

Conditions
ConditionsYield
With acetic acid; sodium nitrite
127-17-3

2-oxo-propionic acid

103-67-3

benzyl-methyl-amine

600-21-5

N-methylalanine

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In ethanol
74-89-5

methylamine

598-78-7

(R,S)-2-chloropropionic acid

600-21-5

N-methylalanine

Conditions
ConditionsYield
In water

N-Methyl-DL-alanine Specification

The CAS registry number of N-Methyl-DL-alanine is 600-21-5. In addition, the molecular formula is C4H9NO2 and the molecular weight is 103.12. The IUPAC name is 2-(methylamino)propanoic acid and it is also called N-Methyl-L-alanine, (2S)-2-(methylamino)propanoic acid, CHEMBL1234201, CHEBI:17519, 3913-67-5, N-Methyl alanine, Methylalanine. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about N-Methyl-DL-alanine are: (1)ACD/LogP: -0.45; (2)ACD/LogD (pH 5.5): -2.94; (3)ACD/LogD (pH 7.4): -2.95; (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: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.435; (13)Molar Refractivity: 25.69 cm3; (14)Molar Volume: 98.3 cm3; (15)Polarizability: 10.18 ×10-24cm3; (16)Surface Tension: 34.4 dyne/cm; (17)Density: 1.048 g/cm3; (18)Flash Point: 68.8 °C; (19)Enthalpy of Vaporization: 46.99 kJ/mol; (20)Boiling Point: 190.1 °C at 760 mmHg; (21)Vapour Pressure: 0.244 mmHg at 25°C.

Uses of N-Methyl-DL-alanine: it can react with 2-prop-2-ynyloxy-benzoyl chloride to get N-methyl-N-[2-(prop-2-ynyloxy)benzoyl]alanine. This reaction will need reagent aq. NaOH and solvent benzene. The reaction time is 0.5 hour. And the yield is about 80%.

DL-Alanine, N-methyl- can react with 2-prop-2-ynyloxy-benzoyl chloride to get N-methyl-N-[2-(prop-2-ynyloxy)benzoyl]alanine

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(NC)C
(2)Std.InChI: InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)
(3)Std.InChIKey: GDFAOVXKHJXLEI-UHFFFAOYSA-N

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