3-aminopropanamide

• ChemBase ID: 308879
• Molecular Formular: C3H8N2O
• Molecular Mass: 88.10842
• Monoisotopic Mass: 88.06366289
• SMILES: C(=O)(CCN)N
• Canonical SMILES: NCCC(=O)N
• InChI: InChI=1S/C3H8N2O/c4-2-1-3(5)6/h1-2,4H2,(H2,5,6)
• InChIKey: RSDOASZYYCOXIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminopropanamide
• IUPAC Traditional name: 3-aminopropionamide
• Synonyms: beta-alaninamide

Database IDs

• CAS Number: 4726-85-6
• MDL Number: MFCD00038161

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.6515613
• LogD (pH = 7.4): -3.4291985
• Log P: -1.7174054
• Molar Refractivity: 22.525 cm^3
• Polarizability: 9.0116005 Å^3
• Polar Surface Area: 69.11 Å^2