6-aminoheptanamide

• ChemBase ID: 276916
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: C(=O)(N)CCCCC(N)C
• Canonical SMILES: CC(CCCCC(=O)N)N
• InChI: InChI=1S/C7H16N2O/c1-6(8)4-2-3-5-7(9)10/h6H,2-5,8H2,1H3,(H2,9,10)
• InChIKey: VUPVYOQHWDVFKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-aminoheptanamide
• IUPAC Traditional name: 6-aminoheptanamide
• Synonyms: 6-aminoheptanamide

Database IDs

• MDL Number: MFCD19382341
• PubChem SID: 164332826
• PubChem CID: 54178567

CALCULATED PROPERTIES

• Acid pKa: 17.038612
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.150693
• LogD (pH = 7.4): -2.8543878
• Log P: -0.12303188
• Molar Refractivity: 40.9008 cm^3
• Polarizability: 16.35698 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.576

Product Information

• Purity: 95%