1-(3-Methylphenyl)piperazine dihydrochloride

C₁₁H₁₈Cl₂N₂CAS 13078-13-2249.18 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₈Cl₂N₂
Molar mass: 249.18 g/mol
Exact mass: 248.0847 Da
logP: 2.25Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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

13078-13-2

SMILES

Cc1cccc(N2CCNCC2)c1.Cl.Cl

InChIKey

QJNWTYUDISMTMR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

7 names

Piperazine, 1-(3-methylphenyl)-, hydrochloride (1:2)
Piperazine, 1-m-tolyl-, dihydrochloride
Piperazine, 1-(3-methylphenyl)-, dihydrochloride
1-m-Tolylpiperazine dihydrochloride
1-(3-Tolyl)piperazine dihydrochloride
4-(3-Methylphenyl)piperazine dihydrochloride
1-(m-Tolyl)piperazine dihydrochloride

Work with 1-(3-Methylphenyl)piperazine dihydrochloride

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-Methylphenyl)piperazine41186-03-2Free base

Similar compounds

1-(3-Chlorophenyl)piperazine hydrochloride13078-15-466 % similar 1-(3-Chlorophenyl)piperazine dihydrochloride51639-49-766 % similar 1-(3-Chlorophenyl)piperazine monohydrochloride65369-76-866 % similar 1-Phenylpiperazine hydrochloride2210-93-766 % similar 1-(3-Methoxyphenyl)piperazine dihydrochloride6968-76-962 % similar 1-(3-Biphenylyl)piperazine115761-61-058 % similar 2,2'-((3-Methylphenyl)imino)bisethanol91-99-658 % similar TFMPP hydrochloride16015-69-357 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-3-Amino-1-benzylpyrrolidine dihydrochloride131852-54-5 Benzylpiperazine dihydrochloride5321-63-1

Elsewhere

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