N-(hydroxymethyl)octadecanamide

• ChemBase ID: 287414
• Molecular Formular: C19H39NO2
• Molecular Mass: 313.51846
• Monoisotopic Mass: 313.29807949
• SMILES: CCCCCCCCCCCCCCCCCC(=O)NCO
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)NCO
• InChI: InChI=1S/C19H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)20-18-21/h21H,2-18H2,1H3,(H,20,22)
• InChIKey: JHOKTNSTUVKGJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(hydroxymethyl)octadecanamide
• IUPAC Traditional name: N-(hydroxymethyl)octadecanamide
• Synonyms: N-(Hydroxymethyl)stearamide

Database IDs

• CAS Number: 3370-35-2
• MDL Number: MFCD08061490
• PubChem SID: 180672945
• PubChem CID: 76896

CALCULATED PROPERTIES

• Acid pKa: 12.781351
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 5.9824524
• LogD (pH = 7.4): 5.982451
• Log P: 5.9824524
• Molar Refractivity: 94.1063 cm^3
• Polarizability: 37.558754 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%