N-(hydroxymethyl)nonanamide

• ChemBase ID: 295299
• Molecular Formular: C10H21NO2
• Molecular Mass: 187.27924
• Monoisotopic Mass: 187.15722892
• SMILES: CCCCCCCCC(=O)NCO
• Canonical SMILES: CCCCCCCCC(=O)NCO
• InChI: InChI=1S/C10H21NO2/c1-2-3-4-5-6-7-8-10(13)11-9-12/h12H,2-9H2,1H3,(H,11,13)
• InChIKey: NDENIKIKWXFRDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(hydroxymethyl)nonanamide
• IUPAC Traditional name: N-(hydroxymethyl)nonanamide
• Synonyms: N-(Hydroxymethyl)nonanamide; N-(羟甲基)壬酰胺

Database IDs

• CAS Number: 130535-83-0
• MDL Number: MFCD00156149
• PubChem SID: 180680830
• PubChem CID: 348823

CALCULATED PROPERTIES

• Acid pKa: 12.997871
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9813344
• LogD (pH = 7.4): 1.9813335
• Log P: 1.9813344
• Molar Refractivity: 52.6973 cm^3
• Polarizability: 20.977282 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83-87°C
• Boiling Point: 83-87°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%