Basic information
- CAS
319489-29-7- Standard SMILES
COc1ccc(C(=O)NC(C)c2ccccc2)cc1[N+](=O)[O-]- InChIKey
VAWHVBUXCGGPNU-UHFFFAOYSA-N- Molecular formula
- C16H16N2O4
- Average molar mass
- 300.31 g/mol
- Monoisotopic mass
- 300.111007
Names & identifiers
- Preferred name
- 4-methoxy-3-nitro-N-(1-phenylethyl)benzamide
- IUPAC
- 4-methoxy-3-nitro-N-(1-phenylethyl)benzamide
Names & synonyms
4-methoxy-3-nitro-N-(1-phenylethyl)benzamideOprea1_828213STK167912AKOS005409382319489-29-7ST011267(4-methoxy-3-nitrophenyl)-N-(phenylethyl)carboxamide
Database identifiers
- CAS
319489-29-7- PubChem CID
- 5200767
- EC Number
- 140-885-1
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 390
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, 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 CategoriesSkin Sens. 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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