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Methyl 2-amino-2-methylpropanoate hydrochloride

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Name

Methyl 2-amino-2-methylpropanoate hydrochloride

EINECS 1533716-785-6
CAS No. 15028-41-8 Density N/A
PSA 52.32000 LogP 1.39900
Solubility Slightly soluble in water. Melting Point 185°C
Formula C5H11NO2.HCl Boiling Point 120.6 °C at 760 mmHg
Molecular Weight 153.609 Flash Point 56.1 °C
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 15028-41-8 (ALPHA-AMINOISOBUTYRIC ACID METHYL ESTER HYDROCHLORIDE) Hazard Symbols N/A
Synonyms

Alanine,2-methyl-, methyl ester, hydrochloride (7CI,8CI,9CI);2,2-Dimethylglycinemethyl ester hydrochloride;2-Amino-2-methylpropanoic acid methyl esterhydrochloride;2-Amino-2-methylpropionic acid methyl ester hydrochloride;2-Aminoisobutanoic acid methyl ester hydrochloride;2-Aminoisobutyric acidmethyl ester hydrochloride;2-Methylalanine methyl ester hydrochloride;Methyl2-amino-2-methylpropanoate hydrochloride;Methyl 2-aminoisobutanoatehydrochloride;Methyl 2-aminoisobutyrate hydrochloride;Methyl a-aminoisobutyrate hydrochloride;a-Aminoisobutyric acid methylester hydrochloride;

Article Data 50

Methyl 2-amino-2-methylpropanoate hydrochloride Specification

The Methyl 2-amino-2-methylpropanoate hydrochloride with the CAS number 15028-41-8 is also called Alanine, 2-methyl-,methyl ester, hydrochloride (1:1). The systematic name is 1-methoxy-2-methyl-1-oxopropan-2-aminium chloride. Its molecular formula is C5H11NO2.HCl. This chemical should be stored at −20°C.

The properties of the Methyl 2-amino-2-methylpropanoate hydrochloride are: (1)ACD/LogP: -0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -1; (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): 8; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Enthalpy of Vaporization: 35.88 kJ/mol; (14)Vapour Pressure: 15.1 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of 2-amino-2-methyl-propionic acid and methanol. This reaction needs reagent SOCl2.

Uses: This chemical can react with carbonyl dichloride to prepare 2-isocyanato-2-methyl-propionic acid methyl ester. This reaction needs solvent toluene. The yield is 93%.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O=C(OC)C([NH3+])(C)C
(2)InChI: InChI=1/C5H11NO2.ClH/c1-5(2,6)4(7)8-3;/h6H2,1-3H3;1H
(3)InChIKey: NVWZNEDLYYLQJC-UHFFFAOYAF

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