4-Benzylpyridine
Properties
- Molecular formula
- C12H11N
- Molar mass
- 169.23 g/mol
- Exact mass
- 169.0891 Da
- Density
- 1.062 g/mL (at 20 °C)
- Melting point
- 12.4 °C
- Boiling point
- 288 °C
- logP
- 2.67Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed91.3% of notifiers
- H315 Causes skin irritation97.8% of notifiers
- H319 Causes serious eye irritation97.8% of notifiers
- H335 May cause respiratory irritation95.7% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
2116-65-6SMILES
c1ccc(Cc2ccncc2)cc1InChIKey
DBOLXXRVIFGDTI-UHFFFAOYSA-NInChI
InChI=1S/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Pyridine, 4-(phenylmethyl)-
- Pyridine, 4-benzyl-
- 4-(Phenylmethyl)pyridine
- Ba 33216
- γ-Benzylpyridine
- CDD 3513
- NSC 8075
Work with 4-Benzylpyridine
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
4-(3-Phenylpropyl)pyridine2057-49-071 % similar
Diphenylmethane101-81-567 % similar
1,3-Bis(4′-pyridyl)propane17252-51-657 % similar
4-(4-Pyridylmethyl)aniline27692-74-656 % similar
1,2-Bis(4-pyridyl)ethane4916-57-855 % similar
P-Benzylbiphenyl613-42-352 % similar
4-Pyridinepropanol2629-72-352 % similar
4-Pyridinebutanol5264-15-350 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds