N,N-dibutylacetamide

• ChemBase ID: 302053
• Molecular Formular: C10H21NO
• Molecular Mass: 171.27984
• Monoisotopic Mass: 171.1623143
• SMILES: CCCCN(CCCC)C(=O)C
• Canonical SMILES: CCCCN(C(=O)C)CCCC
• InChI: InChI=1S/C10H21NO/c1-4-6-8-11(10(3)12)9-7-5-2/h4-9H2,1-3H3
• InChIKey: MEXKFCWMWJZDMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dibutylacetamide
• IUPAC Traditional name: N,N-dibutylacetamide
• Synonyms: N,N-Di-n-butylacetamide; N,N-二正丁基乙酰胺

Database IDs

• CAS Number: 1563-90-2
• EC Number: 216-358-8
• MDL Number: MFCD00027190
• Beilstein Number: 1099177

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0648618
• LogD (pH = 7.4): 2.0648618
• Log P: 2.0648618
• Molar Refractivity: 52.0065 cm^3
• Polarizability: 20.357784 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 77-78°C/0.6mm
• Flash Point: >110°C(230°F)
• Density: 0.880
• Refractive Index: 1.4470

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 98%