3-Benzylpyridine
Properties
- Molecular formula
- C12H11N
- Molar mass
- 169.23 g/mol
- Exact mass
- 169.0891 Da
- Melting point
- 34 °C
- Boiling point
- 287 °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 swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
Aggregated from the 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, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
620-95-1SMILES
c1ccc(Cc2cccnc2)cc1InChIKey
UUCLVSDUMKMBSM-UHFFFAOYSA-NInChI
InChI=1S/C12H11N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-8,10H,9H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Pyridine, 3-(phenylmethyl)-
- Pyridine, 3-benzyl-
- 3-(Phenylmethyl)pyridine
- CDD 3515
Work with 3-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
3-Pyridinepropanol2859-67-859 % similar
Diphenylmethane101-81-557 % similar
3-Pyridineethanol6293-56-757 % similar
3-Pyridinemethanol100-55-056 % similar
3-Pyridinemethanamine3731-52-056 % similar
3-Ethylpyridine536-78-756 % similar
3-Pyridineacetonitrile6443-85-255 % similar
3-Butylpyridine539-32-253 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.