1,2,3,6-Tetrahydropyridine hydrochloride

C₅H₁₀ClNCAS 18513-79-6119.59 g/mol

Open in Covalent MOL file

Alkene Secondary amine

Properties

Molecular formula: C₅H₁₀ClN
Molar mass: 119.59 g/mol
Exact mass: 119.0502 Da
logP: 0.96Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% 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

18513-79-6

SMILES

C1CNCC=C1.Cl

InChIKey

AFCYWWIZGOUXCF-UHFFFAOYSA-N

InChI

InChI=1S/C5H9N.ClH/c1-2-4-6-5-3-1;/h1-2,6H,3-5H2;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1,2,3,6-Tetrahydropyridine hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,2,3,6-Tetrahydropyridine694-05-3Free base

Similar compounds

2,5-Dihydro-1H-pyrrole hydrochloride63468-63-361 % similar 3-Pyrroline109-96-644 % similar Cyclen tetrahydrochloride10045-25-737 % similar Piperazine hydrochloride142-64-337 % similar 1,4,7-Triazacyclononane trihydrochloride58966-93-137 % similar Azetidine hydrochloride36520-39-533 % similar Diallylammonium chloride6147-66-633 % similar Piperidinium chloride6091-44-732 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Bicyclo[1.1.1]pentan-3-amine,hydrochloride22287-35-0 3-Azabicyclo[3.1.0]hexane hydrochloride73799-64-1 1-Amino-3-cyclopentene hydrochloride91469-55-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook