N,N-dihexylacetamide

• ChemBase ID: 302207
• Molecular Formular: C14H29NO
• Molecular Mass: 227.38616
• Monoisotopic Mass: 227.22491455
• SMILES: CCCCCCN(CCCCCC)C(=O)C
• Canonical SMILES: CCCCCCN(C(=O)C)CCCCCC
• InChI: InChI=1S/C14H29NO/c1-4-6-8-10-12-15(14(3)16)13-11-9-7-5-2/h4-13H2,1-3H3
• InChIKey: JFUCOPIALLYRGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dihexylacetamide
• IUPAC Traditional name: N,N-dihexylacetamide
• Synonyms: N,N-Di-n-hexylacetamide; N,N-二正己基乙酰胺

Database IDs

• CAS Number: 16423-51-1
• MDL Number: MFCD00082658
• Beilstein Number: 1772656

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8431363
• LogD (pH = 7.4): 3.8431365
• Log P: 3.8431365
• Molar Refractivity: 70.4105 cm^3
• Polarizability: 27.736353 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 130°C/2mm
• Flash Point: 106°C(223°F)
• Density: 0.86
• Refractive Index: 1.4510

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98+%