N-hexadecylformamide

• ChemBase ID: 295602
• Molecular Formular: C17H35NO
• Molecular Mass: 269.4659
• Monoisotopic Mass: 269.27186475
• SMILES: CCCCCCCCCCCCCCCCNC=O
• Canonical SMILES: CCCCCCCCCCCCCCCCNC=O
• InChI: InChI=1S/C17H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19/h17H,2-16H2,1H3,(H,18,19)
• InChIKey: ZJZZEOFPTKOHHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hexadecylformamide
• IUPAC Traditional name: N-hexadecylformamide
• Synonyms: N-Formyl-n-hexadecylamine; N-(n-Hexadecyl)formamide; N-正十六碳烷基甲酰胺

Database IDs

• CAS Number: 53396-33-1
• MDL Number: MFCD00046135
• PubChem SID: 180681133
• PubChem CID: 547862

CALCULATED PROPERTIES

• Acid pKa: 16.657022
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.803412
• LogD (pH = 7.4): 5.803412
• Log P: 5.803412
• Molar Refractivity: 83.9577 cm^3
• Polarizability: 33.27293 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%