2-amino-N-methylpropanamide hydrochloride

• ChemBase ID: 49218
• Molecular Formular: C4H11ClN2O
• Molecular Mass: 138.59594
• Monoisotopic Mass: 138.05599066
• SMILES: C(=O)(NC)C(N)C.Cl
• Canonical SMILES: CNC(=O)C(N)C.Cl
• InChI: InChI=1S/C4H10N2O.ClH/c1-3(5)4(7)6-2;/h3H,5H2,1-2H3,(H,6,7);1H
• InChIKey: UHWFDFLWTAIHRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-methylpropanamide hydrochloride
• IUPAC Traditional name: 2-amino-N-methylpropanamide hydrochloride
• Synonyms: 2-Amino-N-methylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD13562337
• PubChem SID: 162053981
• PubChem CID: 21708933

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false