4-(4-Chlorophenyl)-1,2,5,6-tetrahydropyridine hydrochloride

C₁₁H₁₃Cl₂NCAS 51304-61-1230.13 g/mol

Open in Covalent MOL file

Alkene Aryl halide Secondary amine

Properties

Molecular formula: C₁₁H₁₃Cl₂N
Molar mass: 230.13 g/mol
Exact mass: 229.0425 Da
logP: 3.14Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H331 Toxic if inhaled95.3% of notifiers
H351 Suspected of causing cancer100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number

51304-61-1

SMILES

Cl.Clc1ccc(C2=CCNCC2)cc1

InChIKey

NGDJUNABWNTULX-UHFFFAOYSA-N

InChI

InChI=1S/C11H12ClN.ClH/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;/h1-5,13H,6-8H2;1H

Weigh it out

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

Names and synonyms

5 names

Pyridine, 4-(4-chlorophenyl)-1,2,3,6-tetrahydro-, hydrochloride (1:1)
Pyridine, 4-(4-chlorophenyl)-1,2,3,6-tetrahydro-, hydrochloride
Pyridine, 4-(p-chlorophenyl)-1,2,3,6-tetrahydro-, hydrochloride
4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridine monohydrochloride
4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridinium chloride

Work with 4-(4-Chlorophenyl)-1,2,5,6-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

Similar compounds

4-Phenyl-1,2,5,6-tetrahydropyridine hydrochloride43064-12-669 % similar 1,2,3,6-Tetrahydro-4-phenylpyridine10338-69-960 % similar 4-(4-Chlorobenzoyl)piperidine hydrochloride55695-51-743 % similar 1-(4-Chlorophenyl)piperazine hydrochloride13078-12-140 % similar N-(4-Chlorophenyl)piperazine dihydrochloride38869-46-440 % similar α-Amino-p-chloroacetophenone hydrochloride5467-71-038 % similar 4-Chlorobenzamidine hydrochloride14401-51-538 % similar 3,4′-Dichloropropiophenone3946-29-037 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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