2-Benzyl-4-methylpyridine
Basic information
- CAS
5191-54-8- Standard SMILES
Cc1ccnc(Cc2ccccc2)c1- InChIKey
BMVGPICTSDRAIS-UHFFFAOYSA-N- Molecular formula
- C13H13N
- Average molar mass
- 183.25 g/mol
- Monoisotopic mass
- 183.10479942
Names & identifiers
- Preferred name
- 2-Benzyl-4-methylpyridine
- IUPAC
- 2-benzyl-4-methylpyridine
- English name
- 2-benzyl-4-methylpyridine
- Molecular formula
- C13H13N
- Molecular weight
- 183.25
Names & synonyms
2-Benzyl-4-methylpyridineV6C6SNG7AVEINECS 225-975-1Pyridine, 4-methyl-2-(phenylmethyl)-DTXSID301998754-METHYL-2-(PHENYLMETHYL)PYRIDINERefChem:85580DTXCID90122366225-975-15191-54-8UNII-V6C6SNG7AVSCHEMBL8672787
Show more names
SCHEMBL13562418BMVGPICTSDRAIS-UHFFFAOYSA-NNS00032373Q63392142
Database identifiers
- CAS
5191-54-8- PubChem CID
- 78865
- DTXSID
DTXSID30199875- UNII
- V6C6SNG7AV
- EC Number
- 225-975-1
- Nikkaji
- J183.695A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 151 °C · 151 °C(Press: 12 Torr)
- Density
- 1.027 · 1.027±0.06 g/cm3(Predicted)
- pka
- 5.61 · 5.61±0.10(Predicted)
- FDA UNII
- 6 C6SNG7AV · V6C6SNG7AV
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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