Basic information
- CAS
13140-77-7- Standard SMILES
O=C(Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1- InChIKey
JYDFOXZALFOSJF-UHFFFAOYSA-N- Molecular formula
- C14H12N2O3
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.08479225
Names & identifiers
- Preferred name
- N-phenylacetyl-4-nitroaniline
- IUPAC
- N-(4-nitrophenyl)-2-phenylacetamide
- English name
- N-phenylacetyl-4-nitroaniline
- Molecular formula
- C14H12N2O3
- Molecular weight
- 256.26
Names & synonyms
13140-77-7N-Phenylacetyl-p-nitroanilineN-Phenylacetyl-4-nitroanilinePhenylacetic acid p-nitroanilideDTXSID20157025Benzeneacetamide, N-(4-nitrophenyl)-RefChem:164111DTXCID4079516N-(4-nitrophenyl)-2-phenylacetamideBenzeneacetamide,N-(4-nitrophenyl)-Oprea1_620395CHEMBL374909
Show more names
N-(4-Nitrophenyl)benzeneacetamide
SCHEMBL27841700STL199141AKOS000482876N-(4-nitrophenyl)-2-phenyl-acetamideN-(4-Nitro-phenyl)-2-phenyl-acetamideCS-0362318
Database identifiers
- CAS
13140-77-7- PubChem CID
- 83173
- DTXSID
DTXSID20157025- ChEMBL
CHEMBL374909- Nikkaji
- J418.096H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP3.17
Physicochemical properties
- Melting point
- 183 · 183-184 °C(Solv: ethyl acetate (141-78-6); ligroine (8032-32-4))
- Boiling point
- 506.1 · 506.1±43.0 °C(Predicted)
- Density
- 1.313 · 1.313±0.06 g/cm3(Predicted)
- pka
- 13.79 · 13.79±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…