2-aminopropanamide

• ChemBase ID: 266293
• Molecular Formular: C3H8N2O
• Molecular Mass: 88.10842
• Monoisotopic Mass: 88.06366289
• SMILES: C(=O)(C(N)C)N
• Canonical SMILES: NC(=O)C(N)C
• InChI: InChI=1S/C3H8N2O/c1-2(4)3(5)6/h2H,4H2,1H3,(H2,5,6)
• InChIKey: HQMLIDZJXVVKCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminopropanamide
• IUPAC Traditional name: 2-aminopropanamide
• Synonyms: 2-aminopropanamide

Database IDs

• CAS Number: 4726-84-5
• MDL Number: MFCD07841687
• PubChem SID: 164322203
• PubChem CID: 350287

CALCULATED PROPERTIES

• Acid pKa: 16.469738
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.044142
• LogD (pH = 7.4): -2.4191263
• Log P: -1.385654
• Molar Refractivity: 22.3195 cm^3
• Polarizability: 9.0116005 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 52 - 54°C
• Hydrophobicity(logP): -1.562

Product Information

• Purity: 95%; 98%