Basic information
- CAS
67848-66-2- Standard SMILES
c1ccc(Cc2ncccc2-c2ccccc2)cc1- InChIKey
VAXDNHLGUWFZSI-UHFFFAOYSA-N- Molecular formula
- C18H15N
- Average molar mass
- 245.3 g/mol
- Monoisotopic mass
- 245.12044948
Names & identifiers
- Preferred name
- 2-Benzyl-3-phenylpyridine
- IUPAC
- 2-benzyl-3-phenylpyridine
- English name
- 2-benzyl-3-phenylpyridine
- Molecular formula
- C18H15N
- Molecular weight
- 245.32
Names & synonyms
2-Benzyl-3-phenylpyridine67848-66-2EINECS 267-385-72-benzyl-3-phenyl pyridineSCHEMBL11552073DTXSID50987195NS000552163-Phenyl-2-(phenylmethyl)pyridinePyridine, 3-phenyl-2-(phenylmethyl)-
Database identifiers
- CAS
67848-66-2- PubChem CID
- 3017798
- DTXSID
DTXSID50987195- EC Number
- 267-385-7
- Nikkaji
- J287.525J
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 400 · 400.0±21.0 °C(Predicted)
- Density
- 1.079 · 1.079±0.06 g/cm3(Predicted)
- pka
- 4.6 · 4.60±0.10(Predicted)
Related reactions
2 records
Compound notes
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