Alanine, 2-methyl-,methyl ester, hydrochloride (1:1) (15028-41-8)

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