2-amino-N-propylpropanamide

• ChemBase ID: 249167
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)(C(N)C)NCCC
• Canonical SMILES: CCCNC(=O)C(N)C
• InChI: InChI=1S/C6H14N2O/c1-3-4-8-6(9)5(2)7/h5H,3-4,7H2,1-2H3,(H,8,9)
• InChIKey: ZTZLBRIYZPKLSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06655626
• PubChem SID: 164305077
• PubChem CID: 4962196

CALCULATED PROPERTIES

• Acid pKa: 16.129251
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.936977
• LogD (pH = 7.4): -1.3096685
• Log P: -0.28264752
• Molar Refractivity: 36.4888 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.238

Product Information

• Purity: 95%