CAS 13078-15-4 1-(3-Chlorophenyl)piperazine monohydrochloride (HCID 25681)

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Basic information

CAS: 13078-15-4
Standard SMILES: Cl.Clc1cccc(N2CCNCC2)c1
InChIKey: MHXPYWFZULXYHT-UHFFFAOYSA-N
Molecular formula: C10H14Cl2N2
Average molar mass: 233.13 g/mol
Monoisotopic mass: 232.05340381

Names & identifiers

Preferred name: 1-(3-Chlorophenyl)piperazine monohydrochloride
IUPAC: 1-(3-chlorophenyl)piperazine;hydrochloride

Names & synonyms

1-(3-Chlorophenyl)piperazine monohydrochlorideRefChem:743161-(3-Chlorophenyl)piperazine hydrochloride13078-15-465369-76-81-(M-CHLOROPHENYL)PIPERAZINE HYDROCHLORIDE1-(3-Chlorophenyl)piperazinium chloride1-(m-Chlorophenyl)piperazine HClPiperazine, 1-(3-chlorophenyl)-, monohydrochloride1-(3-Chlorophenyl)piperazine HCl1-(3-chlorophenyl)piperazine;hydrochloride7IM2GS7ILV

Show more names

m-CPP hydrochlorideNSC-134746Chlorophenyl Piperazine Hydrochloride SaltTrazodone Impurity 61-(3-Chlorophenyl)-piperazine.HCl(3-chlorophenyl)piperazine, chloridem-chlorophenylpiperazine hydrochlorideSMR000875230

Database identifiers

CAS: 13078-15-4、51639-49-7、65369-76-8
PubChem CID: 25681
DTXSID: DTXSID40896823
ChEMBL: CHEMBL1256321
UNII: 7IM2GS7ILV
EC Number: 235-976-9、265-718-0

Properties

Computed structural properties

Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 157

Experimental & physicochemical properties

Solubility>35 [ug/mL] (The mean of the results at pH 7.4)

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

Hazard information

Hazard Classes and Categories · 2 items

Acute Tox. 4 (97.7%)

Acute Tox. 3 (100%)

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationEndogenous compounds and drugs that bind to and activate SEROTONIN RECEPTORS. Many serotonin receptor agonists are used as ANTIDEPRESSANTS; ANXIOLYTICS; and in the treatment of MIGRAINE DISORDERS.