1-(2,3-Dimethylphenyl)piperazine hydrochloride

C₁₂H₁₉ClN₂CAS 80836-96-0226.75 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₉ClN₂
Molar mass: 226.75 g/mol
Exact mass: 226.1237 Da
logP: 2.13Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

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

Aggregated from 39 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

80836-96-0

SMILES

CC1=C(C(=CC=C1)N2CCNCC2)C.Cl

InChIKey

SHOLVQVIKRVCGQ-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2.ClH/c1-10-4-3-5-12(11(10)2)14-8-6-13-7-9-14;/h3-5,13H,6-9H2,1-2H3;1H

Weigh it out

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

Names and synonyms

1 names

1-(2,3-Xylyl)piperazine monohydrochloride

Work with 1-(2,3-Dimethylphenyl)piperazine 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-Dimethylphenyl)piperazine1013-22-5Free base

Similar compounds

N-(2-Methylphenyl)piperazine hydrochloride70849-60-474 % similar 2-Mepp39512-51-165 % similar 1-(2,6-Dimethylphenyl)piperazine1012-91-557 % similar N-(2-Chlorophenyl)piperazine monohydrochloride41202-32-855 % similar 1-(2,3-Dichlorophenyl)piperazine hydrochloride119532-26-253 % similar 1-(2-Fluorophenyl)piperazine hydrochloride1011-16-151 % similar 1-(2-Methoxyphenyl)piperazine hydrochloride5464-78-851 % similar 1-(2-Ethoxyphenyl)piperazine hydrochloride83081-75-849 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methyl-4-(phenylmethyl)piperazine hydrochloride (1:1)374898-00-7

Elsewhere

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