3-amino-N-propylpropanamide

• ChemBase ID: 261837
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)(CCN)NCCC
• Canonical SMILES: CCCNC(=O)CCN
• InChI: InChI=1S/C6H14N2O/c1-2-5-8-6(9)3-4-7/h2-5,7H2,1H3,(H,8,9)
• InChIKey: WEETVAZMSANCMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-propylpropanamide
• IUPAC Traditional name: 3-amino-N-propylpropanamide
• Synonyms: 3-amino-N-propylpropanamide

Database IDs

• MDL Number: MFCD09726117
• PubChem SID: 164317747
• PubChem CID: 16789226

CALCULATED PROPERTIES

• Acid pKa: 16.407614
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.548503
• LogD (pH = 7.4): -2.3259532
• Log P: -0.614399
• Molar Refractivity: 36.6943 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.273

Product Information

• Purity: 95%