2-Butylpyridine
Properties
- Molecular formula
- C9H13N
- Molar mass
- 135.21 g/mol
- Exact mass
- 135.1048 Da
- Density
- 0.9135 g/mL (at 15 °C)
- Melting point
- 97 °C
- Boiling point
- 192 °C
- logP
- 2.42Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 3
Identifiers
CAS number
5058-19-5SMILES
CCCCc1ccccn1InChIKey
ADSOSINJPNKUJK-UHFFFAOYSA-NInChI
InChI=1S/C9H13N/c1-2-3-6-9-7-4-5-8-10-9/h4-5,7-8H,2-3,6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- Pyridine, 2-butyl-
- NSC 969
Work with 2-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
2-Pentylpyridine2294-76-088 % similar
2-Hexylpyridine1129-69-785 % similar
2-Propylpyridine622-39-977 % similar
2-(3-Phenylpropyl)pyridine2110-18-164 % similar
2-Pyridinepropanol2859-68-960 % similar
2-Ethylpyridine100-71-057 % similar
2-Pyridineethanol103-74-253 % similar
2-Pyridylethylamine2706-56-153 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds