methyl 2-aminopropanoate hydrochloride

• ChemBase ID: 55216
• Molecular Formular: C4H10ClNO2
• Molecular Mass: 139.5807
• Monoisotopic Mass: 139.04000625
• SMILES: C(=O)(C(N)C)OC.Cl
• Canonical SMILES: COC(=O)C(N)C.Cl
• InChI: InChI=1S/C4H9NO2.ClH/c1-3(5)4(6)7-2;/h3H,5H2,1-2H3;1H
• InChIKey: IYUKFAFDFHZKPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-aminopropanoate hydrochloride
• IUPAC Traditional name: methyl 2-aminopropanoate hydrochloride
• Synonyms: DL-ALANINE METHYL ESTER; Methyl alaninate hydrochloride; Methyl 2-aminopropanoate hydrochloride; DL-Alanine methyl ester hydrochloride 98%; DL-ALANINE METHYL ESTER HCl; methyl 2-aminopropanoate hydrochloride; L-Alanine methyl ester hydrochloride; H-DL-Ala-OMe.HCl; DL-Alanine methyl ester hydrochloride; DL-丙氨酸甲酯盐酸盐

Database IDs

• CAS Number: 13515-97-4; 2491-20-5
• EC Number: 236-854-8
• MDL Number: MFCD00035523; MFCD00063663
• Beilstein Number: 3619264
• PubChem SID: 162059979
• PubChem CID: 2756298

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2518427
• LogD (pH = 7.4): -0.70442027
• Log P: -0.43281725
• Molar Refractivity: 25.2664 cm^3
• Polarizability: 10.418138 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 157-158°C; 97 - 99°C; ca 155°C dec.
• Hydrophobicity(logP): -0.219

Safety Information

• Storage Warning: Hygroscopic; IRRITANT; Irritant/Hygroscopic/Store at -20°C
• TSCA Listed: false; 否

Product Information

• Purity: 95%; 97%; 98%; 98+%
• Salt Data: HCl

DETAILS

MP Biomedicals - 05204546

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02104828

Hydrochloride
Crystalline