1-(3,4-Dichlorophenyl)piperazine

C₁₀H₁₂Cl₂N₂CAS 57260-67-0231.12 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₂Cl₂N₂
Molar mass: 231.12 g/mol
Exact mass: 230.0378 Da
Melting point: 175–177 °C
Boiling point: 202 °C (at 15 Torr)
logP: 2.40Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

57260-67-0

SMILES

Clc1ccc(N2CCNCC2)cc1Cl

InChIKey

PXFJLKKZSWWVRX-UHFFFAOYSA-N

InChI

InChI=1S/C10H12Cl2N2/c11-9-2-1-8(7-10(9)12)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2

Weigh it out

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

Names and synonyms

2 names

Piperazine, 1-(3,4-dichlorophenyl)-
N-3,4-Dichlorophenylpiperazine

Work with 1-(3,4-Dichlorophenyl)piperazine

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.

Piperazine, 1-(3,4-dichlorophenyl)-, hydrochloride (1:2)76835-17-1Salt

Similar compounds

1-[4-Chloro-3-(trifluoromethyl)phenyl]piperazine41213-04-163 % similar 1-(4-Chlorophenyl)piperazine38212-33-857 % similar 1-(2-Chlorophenyl)piperazine39512-50-056 % similar 1-(3-Chlorophenyl)piperazine6640-24-056 % similar 1-(3,4-Dimethylphenyl)piperazine1014-05-755 % similar 1-(3-Fluorophenyl)piperazine3801-89-655 % similar 1-(3-Biphenylyl)piperazine115761-61-053 % similar 1-(3-Bromophenyl)piperazine31197-30-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dichlorophenylpiperazine41202-77-1 1-(3,5-Dichlorophenyl)piperazine55827-50-4 5-Chlorotryptamine hydrochloride942-26-7

Elsewhere

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