1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine hydrochloride

C₁₂H₁₆ClNCAS 23007-85-4209.72 g/mol

Open in Covalent MOL file

Alkene Tertiary amine

Properties

Molecular formula: C₁₂H₁₆ClN
Molar mass: 209.72 g/mol
Exact mass: 209.0971 Da
Melting point: 241–243 °C
logP: 2.83Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled88.6% of notifiers
H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin90.9% of notifiers
H315 Causes skin irritation90.9% of notifiers
H319 Causes serious eye irritation90.9% of notifiers
H331 Toxic if inhaled93.2% of notifiers
H335 May cause respiratory irritation90.9% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

23007-85-4

SMILES

CN1CC=C(c2ccccc2)CC1.Cl

InChIKey

KOWJANGMTAZWDT-UHFFFAOYSA-N

InChI

InChI=1S/C12H15N.ClH/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-7H,8-10H2,1H3;1H

Weigh it out

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

Names and synonyms

3 names

Pyridine, 1,2,3,6-tetrahydro-1-methyl-4-phenyl-, hydrochloride (1:1)
Pyridine, 1,2,3,6-tetrahydro-1-methyl-4-phenyl-, hydrochloride
MPTP hydrochloride

Work with 1-Methyl-4-phenyl-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

Similar compounds

4-Phenyl-1,2,5,6-tetrahydropyridine hydrochloride43064-12-648 % similar β-Dimethylaminopropiophenone hydrochloride879-72-146 % similar Cyproheptadine hydrochloride969-33-542 % similar 1-Phenylcyclohexene31017-40-042 % similar 1-Phenylcyclohexene771-98-242 % similar 1,2,3,6-Tetrahydro-4-phenylpyridine10338-69-940 % similar Cyproheptadine hydrochloride sesquihydrate41354-29-440 % similar 1-Methyl-4-(phenylmethyl)piperazine hydrochloride (1:1)374898-00-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Benzyl-4-chloropiperidine67848-71-9

Elsewhere

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