Basic information
- CAS
99338-13-3- Standard SMILES
CCCCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
LMFPMVSMYAKMJE-UHFFFAOYSA-N- Molecular formula
- C17H18N2O3
- Average molar mass
- 298.34 g/mol
- Monoisotopic mass
- 298.13174244
Names & identifiers
- Preferred name
- N-(4-butylphenyl)-4-nitrobenzamide
- IUPAC
- N-(4-butylphenyl)-4-nitrobenzamide
Names & synonyms
N-(4-butylphenyl)-4-nitrobenzamide99338-13-3Oprea1_326441Oprea1_717740SCHEMBL10803370AKOS000933357N-(4-butylphenyl)(4-nitrophenyl)carboxamideST50808271
Database identifiers
- CAS
99338-13-3- PubChem CID
- 5114619
- EC Number
- 126-894-3
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 365
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (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 CategoriesAquatic Acute 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…