3-Butylpyridine
Properties
- Molecular formula
- C9H13N
- Molar mass
- 135.21 g/mol
- Exact mass
- 135.1048 Da
- Density
- 0.9797 g/mL (at 20 °C)
- Boiling point
- 205–208 °C
- logP
- 2.42Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.5% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
539-32-2SMILES
CCCCc1cccnc1InChIKey
QSNMFWFDOFQASV-UHFFFAOYSA-NInChI
InChI=1S/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Pyridine, 3-butyl-
- 3-n-Butylpyridine
- 1-(3-Pyridyl)butane
Work with 3-Butylpyridine
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
n-Butylbenzene104-51-862 % similar
3-Pyridinepropanol2859-67-861 % similar
3-Ethylpyridine536-78-759 % similar
3-Pyridineethaneamine20173-24-455 % similar
3-Pyridineethanol6293-56-755 % similar
Pentylbenzene538-68-154 % similar
3-Benzylpyridine620-95-153 % similar
Decylbenzene104-72-352 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.