chempirical

3-Butylpyridine

C9H13NCAS 539-32-2135.21 g/mol

Open in Covalent MOL file
N

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

Identifiers

CAS number
539-32-2
SMILES
CCCCc1cccnc1
InChIKey
QSNMFWFDOFQASV-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2,1H3

Weigh 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-Pyridineethanol6293-56-755 % similar 3-Benzylpyridine620-95-153 % similar Decylbenzene104-72-352 % similar Hexylbenzene1077-16-352 % similar Heptylbenzene1078-71-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Ethyl-M-toluidine102-27-2 3,4-Dimethylbenzenemethanamine102-48-7 Dimethylbenzylamine103-83-3 Dimethyl-M-toluidine121-72-2 2,4,5-Trimethylaniline137-17-7 Ethylbenzylamine14321-27-8 2-Propylaniline1821-39-2 (αS)-N,α-Dimethylbenzenemethanamine19131-99-8

Elsewhere

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