(2S)-2-amino-N-methylpropanamide hydrochloride

• ChemBase ID: 119979
• Molecular Formular: C4H11ClN2O
• Molecular Mass: 138.59594
• Monoisotopic Mass: 138.05599066
• SMILES: C(=O)(NC)[C@@H](N)C.Cl
• Canonical SMILES: CNC(=O)[C@@H](N)C.Cl
• InChI: InChI=1S/C4H10N2O.ClH/c1-3(5)4(7)6-2;/h3H,5H2,1-2H3,(H,6,7);1H/t3-;/m0./s1
• InChIKey: UHWFDFLWTAIHRE-DFWYDOINSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-N-methylpropanamide hydrochloride
• IUPAC Traditional name: (2S)-2-amino-N-methylpropanamide hydrochloride
• Synonyms: (S)-2-amino-N-methylpropanamide hydrochloride

Database IDs

• CAS Number: 61275-22-7
• PubChem SID: 162108236
• PubChem CID: 18595779

CALCULATED PROPERTIES

• Acid pKa: 16.123486
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8164928
• LogD (pH = 7.4): -2.1892858
• Log P: -1.1619779
• Molar Refractivity: 27.2162 cm^3
• Polarizability: 10.84336 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%
• Salt Data: HCl