2-(methylamino)propanoic acid hydrochloride

• ChemBase ID: 273553
• Molecular Formular: C4H10ClNO2
• Molecular Mass: 139.5807
• Monoisotopic Mass: 139.04000625
• SMILES: C(=O)(C(NC)C)O.Cl
• Canonical SMILES: CC(C(=O)O)NC.Cl
• InChI: InChI=1S/C4H9NO2.ClH/c1-3(5-2)4(6)7;/h3,5H,1-2H3,(H,6,7);1H
• InChIKey: QYXBNPBZWXNBGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)propanoic acid hydrochloride
• IUPAC Traditional name: 2-(methylamino)propanoic acid hydrochloride
• Synonyms: 2-(methylamino)propanoic acid hydrochloride

Database IDs

• MDL Number: MFCD06795791
• PubChem SID: 164329463
• PubChem CID: 22492278

CALCULATED PROPERTIES

• Acid pKa: 2.1621037
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.6176062
• LogD (pH = 7.4): -2.6178064
• Log P: -2.617503
• Molar Refractivity: 25.2719 cm^3
• Polarizability: 10.177998 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 118 - 120°C
• Hydrophobicity(logP): -2.368

Product Information

• Purity: 95%