3-(methylamino)propanamide hydrochloride

• ChemBase ID: 24414
• Molecular Formular: C4H11ClN2O
• Molecular Mass: 138.59594
• Monoisotopic Mass: 138.05599066
• SMILES: C(=O)(CCNC)N.Cl
• Canonical SMILES: CNCCC(=O)N.Cl
• InChI: InChI=1S/C4H10N2O.ClH/c1-6-3-2-4(5)7;/h6H,2-3H2,1H3,(H2,5,7);1H
• InChIKey: QETTVXHAPCTHMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(methylamino)propanamide hydrochloride
• IUPAC Traditional name: 3-(methylamino)propanamide hydrochloride
• Synonyms: 3-(Methylamino)propanamide hydrochloride

Database IDs

• MDL Number: MFCD11226474
• PubChem SID: 160987721
• PubChem CID: 25049770

CALCULATED PROPERTIES

• Acid pKa: 16.848654
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.4740458
• LogD (pH = 7.4): -3.4772573
• Log P: -1.2848251
• Molar Refractivity: 27.2996 cm^3
• Polarizability: 10.84336 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false