Basic information
- CAS
19209-03-1- Standard SMILES
O=C(NCCc1ccccc1)c1ccccc1[N+](=O)[O-]- InChIKey
LZACRFHFFFAFSW-UHFFFAOYSA-N- Molecular formula
- C15H14N2O3
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.10044231
Names & identifiers
- Preferred name
- 2-nitro-N-(2-phenylethyl)benzamide
- IUPAC
- 2-nitro-N-(2-phenylethyl)benzamide
- English name
- 2-nitro-N-(2-phenylethyl)benzamide
- Molecular formula
- C15H14N2O3
- Molecular weight
- 270.28
Names & synonyms
2-nitro-N-phenethylbenzamide2-nitro-N-(2-phenylethyl)benzamide19209-03-12-Nitro-N-phenethyl-benzamideOprea1_027826Oprea1_134962MLS001212534CHEMBL1500180DTXSID301328230HMS2835I05STL362921AKOS000541211
Show more names
Benzamide, 2-nitro-N-(2-phenylethyl)-
SMR000515936ST012419(2-nitrophenyl)-N-(2-phenylethyl)carboxamide
Database identifiers
- CAS
19209-03-1- PubChem CID
- 720792
- DTXSID
DTXSID301328230- ChEMBL
CHEMBL1500180- EC Number
- 148-540-7
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 335
Experimental & physicochemical properties
Solubility33.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 115 · 115-116 °C(Solv: benzene (71-43-2))
- Boiling point
- 479.3 · 479.3±38.0 °C(Predicted)
- Density
- 1.235 · 1.235±0.06 g/cm3(Predicted)
- pka
- 13.48 · 13.48±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
Suppliers1 total
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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