1-(3-Chlorophenyl)piperazine monohydrochloride

C₁₀H₁₄Cl₂N₂CAS 65369-76-8233.14 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₄Cl₂N₂
Molar mass: 233.14 g/mol
Exact mass: 232.0534 Da
logP: 2.17Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed97.7% of notifiers
H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

65369-76-8

SMILES

Cl.Clc1cccc(N2CCNCC2)c1

InChIKey

MHXPYWFZULXYHT-UHFFFAOYSA-N

InChI

InChI=1S/C10H13ClN2.ClH/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;/h1-3,8,12H,4-7H2;1H

Weigh it out

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

Names and synonyms

3 names

Piperazine, 1-(3-chlorophenyl)-, hydrochloride (1:?)
Piperazine, 1-(3-chlorophenyl)-, hydrochloride
Piperazine, 1-(m-chlorophenyl)-, hydrochloride

Work with 1-(3-Chlorophenyl)piperazine monohydrochloride

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-(3-Chlorophenyl)piperazine6640-24-0Free base 1-(3-Chlorophenyl)piperazine dihydrochloride51639-49-7Salt 1-(3-Chlorophenyl)piperazine hydrochloride13078-15-4

Similar compounds

1-(3-Methylphenyl)piperazine dihydrochloride13078-13-266 % similar N-(4-Chlorophenyl)piperazine dihydrochloride38869-46-466 % similar 1-Phenylpiperazine hydrochloride2210-93-765 % similar 1-(3,5-Dichlorophenyl)piperazine55827-50-461 % similar TFMPP hydrochloride16015-69-361 % similar 1-(3-Methoxyphenyl)piperazine dihydrochloride6968-76-961 % similar Piperazine, 1-(3,4-dichlorophenyl)-, hydrochloride (1:2)76835-17-160 % similar 1-(3-Fluorophenyl)piperazine3801-89-659 % similar

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

Same formula

1-(4-Chlorophenyl)piperazine hydrochloride13078-12-1 N-(2-Chlorophenyl)piperazine monohydrochloride41202-32-8

Elsewhere

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