4-(3-Phenylpropyl)pyridine
Properties
- Molecular formula
- C14H15N
- Molar mass
- 197.28 g/mol
- Exact mass
- 197.1204 Da
- Density
- 1.0224 g/mL (at 20 °C)
- Boiling point
- 322 °C
- logP
- 3.26Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 4
Hazards
Warning
- H302 Harmful if swallowed10.3% of notifiers
- H315 Causes skin irritation96.6% of notifiers
- H317 May cause an allergic skin reaction87% of notifiers
- H319 Causes serious eye irritation96.6% of notifiers
Aggregated from 1,479 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
2057-49-0SMILES
c1ccc(CCCc2ccncc2)cc1InChIKey
AQIIVEISJBBUCR-UHFFFAOYSA-NInChI
InChI=1S/C14H15N/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6,9-12H,4,7-8H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Pyridine, 4-(3-phenylpropyl)-
- 4-Phenylpropylpyridine
- 1-(4-Pyridyl)-3-phenylpropane
Work with 4-(3-Phenylpropyl)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
1,3-Bis(4′-pyridyl)propane17252-51-683 % similar
4-Benzylpyridine2116-65-671 % similar
1,3-Diphenylpropane1081-75-067 % similar
1,2-Bis(4-pyridyl)ethane4916-57-863 % similar
4-Pyridinepropanol2629-72-358 % similar
4-Pyridinebutanol5264-15-356 % similar
Bibenzyl103-29-753 % similar
4-Propylpyridine1122-81-250 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.