2-Hexylpyridine

C₁₁H₁₇NCAS 1129-69-7163.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₇N
Molar mass: 163.26 g/mol
Exact mass: 163.1361 Da
Boiling point: 100 °C (at 0.1 Torr)
logP: 3.20Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed96.9% of notifiers

Aggregated from 1,419 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

1129-69-7

SMILES

CCCCCCc1ccccn1

InChIKey

NZLJDTKLZIMONR-UHFFFAOYSA-N

InChI

InChI=1S/C11H17N/c1-2-3-4-5-8-11-9-6-7-10-12-11/h6-7,9-10H,2-5,8H2,1H3

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Names and synonyms

2 names

Pyridine, 2-hexyl-
2-(n-Hexyl)pyridine

Work with 2-Hexylpyridine

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Pentylpyridine2294-76-096 % similar 2-Butylpyridine5058-19-585 % similar 2-Propylpyridine622-39-971 % similar 2-(3-Phenylpropyl)pyridine2110-18-160 % similar 2-Pyridinepropanol2859-68-956 % similar Decylbenzene104-72-355 % similar Hexylbenzene1077-16-355 % similar Heptylbenzene1078-71-355 % similar

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

Same formula

N,N,2,4,6-Pentamethylbenzenamine13021-15-3 N-Butylbenzylamine2403-22-7 2,6-Diethyl-4-methylbenzenamine24544-08-9 4-Pentylaniline33228-44-3 N-(1,1-Dimethylethyl)benzenemethanamine3378-72-1 4-(1,1-Dimethylethyl)benzenemethanamine39895-55-1 4-N-Butylbenzylamine57802-79-6 N,N-Diethyl-o-toluidine606-46-2

Elsewhere

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