Basic information
- CAS
27768-46-3- Standard SMILES
C(=Nc1ccccc1)c1ccncc1- InChIKey
DDHVJFYBTGEOJS-UHFFFAOYSA-N- Molecular formula
- C12H10N2
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.08439833
Names & identifiers
- Preferred name
- Benzenamine, N-(4-pyridinylmethylene)-
- IUPAC
- N-phenyl-1-pyridin-4-ylmethanimine
- English name
- N-[(4-Pyridinyl)methylene]aniline
- Molecular formula
- C12H10N2
- Molecular weight
- 182.22
Names & synonyms
27768-46-3Benzenamine, N-(4-pyridinylmethylene)-4-[(Phenylimino)methyl]pyridinePyridine, 4-(N-phenylformimidoyl)-N-Phenyl-1-(pyridin-4-yl)methanimine(4-pyridylmethylene)-aniline88785-69-7SCHEMBL3271745SCHEMBL10616606DTXSID80950453DDHVJFYBTGEOJS-GXDHUFHOSA-NN-(Pyridin-4-ylmethylene)aniline
Show more names
N-(4-Pyridinylmethylene)anilineN-Phenylpyridine-4-methaneimineN-[(4-Pyridinyl)methylene]anilineN-(4-Pyridinylmethylene)benzenamine
N-[(E)-4-Pyridinylmethylidene]aniline #DB-109628
Database identifiers
- CAS
27768-46-3- PubChem CID
- 555705
- DTXSID
DTXSID80950453- Nikkaji
- J119.532H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Melting point
- 71.8 · 71.8-72.3 °C(Solv: hexane (110-54-3))
- Boiling point
- 324.2 · 324.2±15.0 °C(Predicted)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- pka
- 3.07 · 3.07±0.26(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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