N-(2-Methylphenyl)piperazine hydrochloride

C₁₁H₁₇ClN₂CAS 70849-60-4212.72 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₇ClN₂
Molar mass: 212.72 g/mol
Exact mass: 212.1080 Da
logP: 1.83Crippen 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 43 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

70849-60-4

SMILES

CC1=CC=CC=C1N2CCNCC2.Cl

InChIKey

LZNYIWJDVYCKDU-UHFFFAOYSA-N

InChI

InChI=1S/C11H16N2.ClH/c1-10-4-2-3-5-11(10)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H

Weigh it out

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

Names and synonyms

1 names

1-(o-Tolyl)piperazine Hydrochloride

Work with N-(2-Methylphenyl)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.

2-Mepp39512-51-1Free base

Similar compounds

1-(2,3-Dimethylphenyl)piperazine hydrochloride80836-96-074 % similar 1-(2,3-Dimethylphenyl)piperazine1013-22-565 % similar 1-(2-Fluorophenyl)piperazine hydrochloride1011-16-160 % similar N-(2-Chlorophenyl)piperazine monohydrochloride41202-32-860 % similar 1-(2-Methoxyphenyl)piperazine hydrochloride5464-78-859 % similar 1-(2,6-Dimethylphenyl)piperazine1012-91-558 % similar 1-(2-Ethoxyphenyl)piperazine hydrochloride83081-75-856 % similar 1-(2,5-Dimethylphenyl)piperazine1013-25-856 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Benzylpiperazine hydrochloride110475-31-5

Elsewhere

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