(2S)-2-amino-N,N-dimethylpropanamide hydrochloride

• ChemBase ID: 247320
• Molecular Formular: C5H13ClN2O
• Molecular Mass: 152.62252
• Monoisotopic Mass: 152.07164073
• SMILES: C(=O)(N(C)C)[C@@H](N)C.Cl
• Canonical SMILES: O=C(N(C)C)[C@@H](N)C.Cl
• InChI: InChI=1S/C5H12N2O.ClH/c1-4(6)5(8)7(2)3;/h4H,6H2,1-3H3;1H/t4-;/m0./s1
• InChIKey: KBHZDXUKDVJVSS-WCCKRBBISA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20487760
• PubChem SID: 164303230
• PubChem CID: 57517873

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.588814
• LogD (pH = 7.4): -1.9594479
• Log P: -0.9383018
• Molar Refractivity: 32.1129 cm^3
• Polarizability: 12.678941 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.866

Product Information

• Purity: 95%