4-Benzyl-3-methylpyridine
Basic information
- CAS
24015-80-3- Standard SMILES
Cc1cnccc1Cc1ccccc1- InChIKey
AKEWMBWKZQYRNX-UHFFFAOYSA-N- Molecular formula
- C13H13N
- Average molar mass
- 183.25 g/mol
- Monoisotopic mass
- 183.10479942
Names & identifiers
- Preferred name
- 4-Benzyl-3-methylpyridine
- IUPAC
- 4-benzyl-3-methylpyridine
- English name
- 4-benzyl-3-methylpyridine
- Molecular formula
- C13H13N
- Molecular weight
- 183.25
Names & synonyms
4-Benzyl-3-methylpyridine3-Methyl-4-(phenylmethyl)pyridineEINECS 245-982-3E9K45EV784DTXSID90178747Pyridine, 3-methyl-4-(phenylmethyl)-RefChem:97972DTXCID50101238245-982-324015-80-33-methyl-4-benzylpyridineUNII-E9K45EV784
Show more names
SCHEMBL8069077AKEWMBWKZQYRNX-UHFFFAOYSA-NDA-07789NS00027535
Database identifiers
- CAS
24015-80-3- PubChem CID
- 90333
- DTXSID
DTXSID90178747- UNII
- E9K45EV784
- EC Number
- 245-982-3
- Nikkaji
- J242.719B
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 202 · 202-205 °C(Press: 5 Torr)
- Density
- 1.027 · 1.027±0.06 g/cm3(Predicted)
- pka
- 5.99 · 5.99±0.18(Predicted)
- FDA UNII
- 9 K45EV784 · E9K45EV784
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Related reactions
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Compound notes
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