Norchlorcyclizine

C₁₇H₁₉ClN₂CAS 303-26-4286.80 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₇H₁₉ClN₂
Molar mass: 286.80 g/mol
Exact mass: 286.1237 Da
Melting point: 63–65 °C
Boiling point: 175–180 °C (at 1 Torr)
logP: 3.33Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation94.6% of notifiers
H319 Causes serious eye irritation92.9% of notifiers
H335 May cause respiratory irritation89.3% of notifiers
H361 Suspected of damaging fertility or the unborn child19.6% of notifiers

Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

303-26-4

SMILES

Clc1ccc(C(c2ccccc2)N2CCNCC2)cc1

InChIKey

UZKBSZSTDQSMDR-UHFFFAOYSA-N

InChI

InChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2

Weigh it out

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

Names and synonyms

12 names

Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-
Piperazine, 1-(p-chloro-α-phenylbenzyl)-
1-[(4-Chlorophenyl)phenylmethyl]piperazine
N-(p-Chlorobenzhydryl)piperazine
4-(4-Chlorobenzhydryl)piperazine
1-(4-Chloro-α-phenylbenzyl)piperazine
1-(α-Phenyl-4-chlorobenzyl)piperazine
1-(4-Chlorobenzhydryl)piperazine
N-(4-Chlorophenyl)phenylmethylpiperazine
NSC 86164
N-(4-Chlorobenzhydryl)piperazine
(±)-1-(p-Chlorobenzhydryl)piperazine

Work with Norchlorcyclizine

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-[(4-Chlorophenyl)phenylmethyl]piperazine130018-88-1Defined stereoisomer (-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine300543-56-0Defined stereoisomer

Similar compounds

1-(4,4'-Dichlorobenzhydryl)piperazine27469-61-087 % similar Diphenylmethylpiperazine841-77-077 % similar 1-(4-Fluoro-alpha-phenylbenzyl)piperazine27064-89-767 % similar 4-((4-Chlorophenyl)phenylmethyl)-1-piperazineethanol109806-71-560 % similar 1-[Bis(4-fluorophenyl)methyl]piperazine27469-60-956 % similar Meclizine569-65-353 % similar (±)-Hydroxyzine68-88-252 % similar 1-(1-Phenylethyl)piperazine69628-75-751 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook