Basic information
- CAS
59256-50-7- Standard SMILES
Cc1ccccc1N=CC=Cc1ccc([N+](=O)[O-])cc1- InChIKey
VNVKHBXBYCACOA-UHFFFAOYSA-N- Molecular formula
- C16H14N2O2
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.10552769
Names & identifiers
- Preferred name
- N-(2-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-imine
- IUPAC
- N-(2-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-imine
- English name
- 2-Methyl-N-[(E,2E)-3-(4-nitrophenyl)-2-propenylidene]aniline
- Molecular formula
- C16H14N2O2
- Molecular weight
- 266.29
Names & synonyms
N-(2-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-imineDTXSID8011847122-Methyl-N-[(E,2E)-3-(4-nitrophenyl)-2-propenylidene]anilineBenzenamine, 2-methyl-N-[3-(4-nitrophenyl)-2-propen-1-ylidene]-
Database identifiers
- CAS
59256-50-7- PubChem CID
- 548633
- DTXSID
DTXSID801184712
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Boiling point
- 425.3 · 425.3±45.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 3.98 · 3.98±0.50(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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