chempirical

3-Benzylpyridine

C12H11NCAS 620-95-1169.23 g/mol

Open in Covalent MOL file
N

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

Identifiers

CAS number
620-95-1
SMILES
c1ccc(Cc2cccnc2)cc1
InChIKey
UUCLVSDUMKMBSM-UHFFFAOYSA-N
InChI
InChI=1S/C12H11N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-8,10H,9H2

Weigh 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. All similar compounds

Same formula

2-(Phenylmethyl)pyridine101-82-6 3-Methyl-2-phenylpyridine10273-90-2 Diphenylamine122-39-4 4-Benzylpyridine2116-65-6 3-Aminobiphenyl2243-47-2 5-Methyl-2-phenylpyridine27012-22-2 4-Methyl-2-phenylpyridine3475-21-6 2-(4-Methylphenyl)pyridine4467-06-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook