2-amino-N-propylacetamide

• ChemBase ID: 246900
• Molecular Formular: C5H12N2O
• Molecular Mass: 116.16158
• Monoisotopic Mass: 116.09496301
• SMILES: C(=O)(NCCC)CN
• Canonical SMILES: CCCNC(=O)CN
• InChI: InChI=1S/C5H12N2O/c1-2-3-7-5(8)4-6/h2-4,6H2,1H3,(H,7,8)
• InChIKey: FDYLEQIJNGFKPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-propylacetamide
• IUPAC Traditional name: 2-amino-N-propylacetamide
• Synonyms: 2-amino-N-propylacetamide

Database IDs

• CAS Number: 62029-81-6
• MDL Number: MFCD06655365
• PubChem SID: 164302810
• PubChem CID: 4961985

CALCULATED PROPERTIES

• Acid pKa: 16.126846
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3444622
• LogD (pH = 7.4): -1.6613008
• Log P: -0.85141176
• Molar Refractivity: 31.9949 cm^3
• Polarizability: 12.678941 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.547

Product Information

• Purity: 95%