4-Phenyl-1,2,5,6-tetrahydropyridine hydrochloride

C₁₁H₁₄ClNCAS 43064-12-6195.69 g/mol

Open in Covalent MOL file

Alkene Secondary amine

Properties

Molecular formula: C₁₁H₁₄ClN
Molar mass: 195.69 g/mol
Exact mass: 195.0815 Da
Melting point: 199–202 °C
logP: 2.49Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed97.7% of notifiers
H311 Toxic in contact with skin97.7% of notifiers
H331 Toxic if inhaled95.3% of notifiers
H351 Suspected of causing cancer95.3% 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

43064-12-6

SMILES

C1=C(c2ccccc2)CCNC1.Cl

InChIKey

POGWXTJNUCZEPR-UHFFFAOYSA-N

InChI

InChI=1S/C11H13N.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h1-6,12H,7-9H2;1H

Weigh it out

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

Names and synonyms

4 names

Pyridine, 1,2,3,6-tetrahydro-4-phenyl-, hydrochloride (1:1)
Pyridine, 1,2,3,6-tetrahydro-4-phenyl-, hydrochloride
1,2,3,6-Tetrahydro-4-phenylpyridine hydrochloride
4-Phenyl-1,2,3,6-tetrahydropyridine hydrochloride

Work with 4-Phenyl-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

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-Tetrahydro-4-phenylpyridine10338-69-9Free base

Similar compounds

4-(4-Chlorophenyl)-1,2,5,6-tetrahydropyridine hydrochloride51304-61-169 % similar 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine hydrochloride23007-85-448 % similar 1-Phenylcyclohexene31017-40-046 % similar 1-Phenylcyclohexene771-98-246 % similar Benzoylpiperazine hydrochloride56227-55-539 % similar β-Dimethylaminopropiophenone hydrochloride879-72-136 % similar 1,4-Diphenyl-1,4-butanedione495-71-635 % similar 4-Phenylpiperidine hydrochloride10272-49-834 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,4,5-Tetrahydro-1H-1,5-methanobenzo[d]azepine hydrochloride230615-52-8 Pargyline hydrochloride306-07-0 Lorcaserin616202-92-7

Elsewhere

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