2-aminopropanamide hydrochloride

• ChemBase ID: 49259
• Molecular Formular: C3H9ClN2O
• Molecular Mass: 124.56936
• Monoisotopic Mass: 124.0403406
• SMILES: C(=O)(C(N)C)N.Cl
• Canonical SMILES: NC(=O)C(N)C.Cl
• InChI: InChI=1S/C3H8N2O.ClH/c1-2(4)3(5)6;/h2H,4H2,1H3,(H2,5,6);1H
• InChIKey: FIAINKIUSZGVGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00066144
• PubChem SID: 162054022
• PubChem CID: 12317286

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false