Basic information
- CAS
329940-27-4- Standard SMILES
Cc1ccc(C(=O)NCCc2ccccc2)cc1[N+](=O)[O-]- InChIKey
NSUNWBIGBPUZEZ-UHFFFAOYSA-N- Molecular formula
- C16H16N2O3
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.11609238
Names & identifiers
- Preferred name
- 4-methyl-3-nitro-N-(2-phenylethyl)benzamide
- IUPAC
- 4-methyl-3-nitro-N-(2-phenylethyl)benzamide
- English name
- 4-methyl-3-nitro-N-(2-phenylethyl)benzamide
- Molecular formula
- C16H16N2O3
- Molecular weight
- 284.31
Names & synonyms
4-methyl-3-nitro-N-(2-phenylethyl)benzamide4-methyl-3-nitro-N-phenethylbenzamideOprea1_245371STK038759AKOS002939772329940-27-4ST010814(4-methyl-3-nitrophenyl)-N-(2-phenylethyl)carboxamideF3582-2376Benzamide, 4-methyl-3-nitro-N-(2-phenylethyl)-
Database identifiers
- CAS
329940-27-4- PubChem CID
- 710831
- EC Number
- 170-125-4
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Boiling point
- 463 · 463.0±45.0 °C(Predicted)
- Density
- 1.209 · 1.209±0.06 g/cm3(Predicted)
- pka
- 13.59 · 13.59±0.46(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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, 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 Irrit. 2 (100%)
Chemistry & industry
Suppliers2 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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