2-(Phenylmethyl)pyridine
Properties
- Molecular formula
- C12H11N
- Molar mass
- 169.23 g/mol
- Exact mass
- 169.0891 Da
- Density
- 1.055 g/mL (at 20 °C)
- Melting point
- 12.5 °C
- Boiling point
- 277 °C
- logP
- 2.67Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation11.4% of notifiers
- H319 Causes serious eye irritation97.7% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364
Identifiers
CAS number
101-82-6SMILES
c1ccc(Cc2ccccn2)cc1InChIKey
PCFUWBOSXMKGIP-UHFFFAOYSA-NInChI
InChI=1S/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Pyridine, 2-(phenylmethyl)-
- Pyridine, 2-benzyl-
- 2-Benzylpyridine
- CDD 3529
- NSC 241072
- NSC 4033
Work with 2-(Phenylmethyl)pyridine
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-(4'-Chlorobenzyl)pyridine4350-41-868 % similar
2-(3-Phenylpropyl)pyridine2110-18-165 % similar
2-Ethylpyridine100-71-052 % similar
Dipicolylamine1539-42-052 % similar
2-Pyridinemethanethiol2044-73-752 % similar
2-Picolylamine3731-51-952 % similar
2-Chloromethylpyridine4377-33-752 % similar
2-Pyridinemethanol586-98-152 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds