N,N-dibutyl-4-nitrobenzamide

• ChemBase ID: 301732
• Molecular Formular: C15H22N2O3
• Molecular Mass: 278.34678
• Monoisotopic Mass: 278.16304257
• SMILES: CCCCN(CCCC)C(=O)c1ccc(cc1)[N+](=O)[O-]
• Canonical SMILES: CCCCN(C(=O)c1ccc(cc1)[N+](=O)[O-])CCCC
• InChI: InChI=1S/C15H22N2O3/c1-3-5-11-16(12-6-4-2)15(18)13-7-9-14(10-8-13)17(19)20/h7-10H,3-6,11-12H2,1-2H3
• InChIKey: ZOSBBNCIMHOFJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dibutyl-4-nitrobenzamide
• IUPAC Traditional name: N,N-dibutyl-4-nitrobenzamide
• Synonyms: N,N-Di-n-butyl-4-nitrobenzamide

Database IDs

• CAS Number: 92700-26-0
• MDL Number: MFCD01010613

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8590202
• LogD (pH = 7.4): 3.8590205
• Log P: 3.8590205
• Molar Refractivity: 80.0017 cm^3
• Polarizability: 29.757761 Å^3
• Polar Surface Area: 66.13 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%