1-(4,4'-Dichlorobenzhydryl)piperazine

C₁₇H₁₈Cl₂N₂CAS 27469-61-0321.25 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₇H₁₈Cl₂N₂
Molar mass: 321.25 g/mol
Exact mass: 320.0847 Da
logP: 3.99Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H317 May cause an allergic skin reaction33.3% of notifiers
H318 Causes serious eye damage66.7% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers
H361 Suspected of damaging fertility or the unborn child33.3% of notifiers
H400 Very toxic to aquatic life33.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects33.3% of notifiers
H411 Toxic to aquatic life with long lasting effects33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

27469-61-0

SMILES

C1CN(CCN1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

InChIKey

PTLFMGDNZYQISN-UHFFFAOYSA-N

InChI

InChI=1S/C17H18Cl2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2

Weigh it out

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

Names and synonyms

1 names

1-[Bis(4-chlorophenyl)methyl]piperazine

Work with 1-(4,4'-Dichlorobenzhydryl)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

Similar compounds

(-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine130018-88-187 % similar (-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine300543-56-087 % similar Norchlorcyclizine303-26-487 % similar Diphenylmethylpiperazine841-77-063 % similar 1-[Bis(4-fluorophenyl)methyl]piperazine27469-60-963 % similar 1-(4-Fluoro-alpha-phenylbenzyl)piperazine27064-89-756 % similar 1-(4-Chlorophenyl)piperazine38212-33-855 % similar 4-((4-Chlorophenyl)phenylmethyl)-1-piperazineethanol109806-71-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook