N-cyclohexyl-4-methyl-3-nitrobenzamide
Basic information
- CAS
329940-33-2- Standard SMILES
Cc1ccc(C(=O)NC2CCCCC2)cc1[N+](=O)[O-]- InChIKey
MEWBZOURQZVTKT-UHFFFAOYSA-N- Molecular formula
- C14H18N2O3
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.13174244
Names & identifiers
- Preferred name
- N-cyclohexyl-4-methyl-3-nitrobenzamide
- IUPAC
- N-cyclohexyl-4-methyl-3-nitrobenzamide
- English name
- N-cyclohexyl-4-methyl-3-nitrobenzamide
- Molecular formula
- C14H18N2O3
- Molecular weight
- 262.31
Names & synonyms
N-cyclohexyl-4-methyl-3-nitrobenzamide329940-33-2Oprea1_806600MFCD00814110STK056409AKOS002953673ST010817E89517N-cyclohexyl(4-methyl-3-nitrophenyl)carboxamideSR-01000206102SR-01000206102-1
Database identifiers
- CAS
329940-33-2- PubChem CID
- 710837
- EC Number
- 141-038-9
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Suppliers
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Related reactions
0 records
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Compound notes
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