N-methyldodecanamide

• ChemBase ID: 295920
• Molecular Formular: C13H27NO
• Molecular Mass: 213.35958
• Monoisotopic Mass: 213.20926449
• SMILES: CCCCCCCCCCCC(=O)NC
• Canonical SMILES: CCCCCCCCCCCC(=O)NC
• InChI: InChI=1S/C13H27NO/c1-3-4-5-6-7-8-9-10-11-12-13(15)14-2/h3-12H2,1-2H3,(H,14,15)
• InChIKey: APWSJINSLHHRPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyldodecanamide
• IUPAC Traditional name: N-methyldodecanamide
• Synonyms: N-Methyllauramide; N-Methyldodecanamide; N-甲基十二胺

Database IDs

• CAS Number: 27563-67-3
• MDL Number: MFCD00051780
• PubChem SID: 180681451
• PubChem CID: 141362

CALCULATED PROPERTIES

• Acid pKa: 16.478823
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.8950415
• LogD (pH = 7.4): 3.8950415
• Log P: 3.8950415
• Molar Refractivity: 65.3985 cm^3
• Polarizability: 25.89123 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 67-68°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%