N,1-bis(4-nitrophenyl)methanimine
Basic information
- CAS
10480-05-4- Standard SMILES
O=[N+]([O-])c1ccc(C=Nc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
KRLIGBJKICAQHW-UHFFFAOYSA-N- Molecular formula
- C13H9N3O4
- Average molar mass
- 271.23 g/mol
- Monoisotopic mass
- 271.05930578
Names & identifiers
- Preferred name
- N,1-bis(4-nitrophenyl)methanimine
- IUPAC
- N,1-bis(4-nitrophenyl)methanimine
- English name
- Benzenamine,4-nitro-N-[(4-nitrophenyl)methylene]-
- Molecular formula
- C13H9N3O4
- Molecular weight
- 271.23
Names & synonyms
10480-05-4N,1-bis(4-nitrophenyl)methanimine4-nitro-n-[(e)-(4-nitrophenyl)methylene]anilineNSC955894-nitro-N-(4-nitrobenzylidene)anilineNCIOpen2_006028SCHEMBL8094327DTXSID90294254NSC-95589AKOS003407965AKOS024331517(E)-N,1-Bis(4-nitrophenyl)methanimine
Show more names
(4-NITRO-BENZYLIDENE)-(4-NITRO-PHENYL)-AMINEBenzenamine,4-nitro-N-[(4-nitrophenyl)methylene]-
Database identifiers
- CAS
10480-05-4- PubChem CID
- 262168
- DTXSID
DTXSID90294254- Nikkaji
- J328.253H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Melting point
- 206 °C · 206 °C
- Boiling point
- 479.8 · 479.8±30.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- -0.3 · -0.30±0.50(Predicted)
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Related reactions
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Compound notes
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