methyl (2R)-2-aminopropanoate hydrochloride

• ChemBase ID: 102130
• Molecular Formular: C4H10ClNO2
• Molecular Mass: 139.5807
• Monoisotopic Mass: 139.04000625
• SMILES: Cl.COC(=O)[C@@H](C)N
• Canonical SMILES: COC(=O)[C@H](N)C.Cl
• InChI: InChI=1S/C4H9NO2.ClH/c1-3(5)4(6)7-2;/h3H,5H2,1-2H3;1H/t3-;/m1./s1
• InChIKey: IYUKFAFDFHZKPI-AENDTGMFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (2R)-2-aminopropanoate hydrochloride
• IUPAC Traditional name: methyl (2R)-2-aminopropanoate hydrochloride
• Synonyms: Methyl D-alaninate hydrochloride; D-Alanine methyl ester hydrochloride; D-ALANINE METHYL ESTER HYDROCHLORIDE; methyl (2R)-2-aminopropanoate hydrochloride; D-丙氨酸甲酯 盐酸盐

Database IDs

• CAS Number: 14316-06-4
• EC Number: 238-258-3
• MDL Number: MFCD00066141
• PubChem SID: 24865941; 162089580
• PubChem CID: 11182647

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: 108-110 °C(lit.)
• Optical Rotation: [α]20/D -8.0°, c = 1.6 in methanol
• Hydrophobicity(logP): -0.439

Safety Information

• Storage Condition: 0°C, Desiccate
• German water hazard class: 3

Product Information

• Purity: 95%; 95+%; 98%
• Linear Formula: CH3CH(NH2)CO2CH3·HCl

DETAILS

MP Biomedicals - 02100284

Hydrochloride

Sigma Aldrich - 414549

Packaging
5, 25 g in glass bottle
Application
Building block for the preparation of peptides.1,2