N-cycloheptyl-4-methyl-3-nitrobenzamide
Basic information
- CAS
329940-47-8- Standard SMILES
Cc1ccc(C(=O)NC2CCCCCC2)cc1[N+](=O)[O-]- InChIKey
ODUUFWAYFKKGLL-UHFFFAOYSA-N- Molecular formula
- C15H20N2O3
- Average molar mass
- 276.33 g/mol
- Monoisotopic mass
- 276.1473925
Names & identifiers
- Preferred name
- N-cycloheptyl-4-methyl-3-nitrobenzamide
- IUPAC
- N-cycloheptyl-4-methyl-3-nitrobenzamide
- English name
- N-cycloheptyl-4-methyl-3-nitrobenzamide
- Molecular formula
- C15H20N2O3
- Molecular weight
- 276.33
Names & synonyms
N-cycloheptyl-4-methyl-3-nitrobenzamideOprea1_845731SCHEMBL12443203STK099920AKOS003265418329940-47-8ST010824AB00082299-01N-cycloheptyl(4-methyl-3-nitrophenyl)carboxamideBenzamide, N-cycloheptyl-4-methyl-3-nitro-
Database identifiers
- CAS
329940-47-8- PubChem CID
- 710850
- EC Number
- 169-536-1
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Boiling point
- 430.9 · 430.9±38.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 13.61 · 13.61±0.20(Predicted)
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%)
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Related reactions
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Compound notes
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