N-butyl-3-nitrobenzamide
N-butyl-3-nitrobenzamide
Also Known As: N-butyl-3-nitrobenzamide|N-Butyl-3-nitro-benzamide|ACMC-209oc5|N-n-Butyl-3-nitrobenzamide|Benzamide,N-butyl-3-nitro-|N-butyl(3-nitrophenyl)carboxamide|KS-000044HU|BAS 00095242|B-8397|SR-01000370562-1
CAS: 70001-47-7
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10045 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.10045 |
| Monoisotopic Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 70001-47-7 |
|---|---|
| SMILES | CCCCNC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | PLKPLRMLCSBJKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Analytical Reagents (5 patents)
Biotechnology (1 patents)
Coatings & Adhesives (1 patents)
Heterocyclic Building Blocks (9 patents)
Organic Building Blocks (32 patents)
Pharmaceutical Intermediates (28 patents)
Surfactants & Detergents (1 patents)
Product Overview
N-butyl-3-nitrobenzamide (CAS 70001-47-7), with molecular formula C11H14N2O3 and molecular weight 222.10045 g/mol. IUPAC: N-butyl-3-nitrobenzamide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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