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

• ChemBase ID: 235359
• 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-;/m1./s1
• InChIKey: UHWFDFLWTAIHRE-AENDTGMFSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22056408
• PubChem SID: 164291269
• PubChem CID: 71755496

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

Physical Property

• Melting Point: 223 - 225°C
• Hydrophobicity(logP): -1.296

Product Information

• Purity: 95%