1-Phenylpiperazine

HCID 7096CAS 4004-95-9

Substructure search Find similar structures

Basic information

Standard SMILES: c1ccc(N2CCNCC2)cc1
InChIKey: YZTJYBJCZXZGCT-UHFFFAOYSA-N
Molecular formula: C10H14N2
Average molar mass: 162.23 g/mol
Monoisotopic mass: 162.11569846

Names & identifiers

Preferred name: 1-Phenylpiperazine
IUPAC: 1-phenylpiperazine
English name: 1-Phenylpiperazine dihydrochloride
Molecular formula: C10H16Cl2N2
Molecular weight: 235.15

Names & synonyms

1-PHENYLPIPERAZINE92-54-6PhenylpiperazineDTXSID8057855J9225CBI7DDTXCID9031644RefChem:173105202-165-6N-PhenylpiperazinePiperazine, 1-phenyl-1-Phenyl-piperazineN-Phenyldiethylenediamine

Show more names

Nsc1508471-Phenylpiperazine2HCl1-Phenylpiperazine hHdrochloridePhenylpiperazine (hydrochloride)1-Phenylpiperazine dihydrochlorideN-Phenylpiperazine Dihydrochloride4-Phenylpiperazine Dihydrochloride1-PHENYLPIPERAZINE DIHYDROCHLORIDE 98%Piperazine, 1-phenyl-, dihydrochloride

4-phenylpiperazinen-phenyl piperazineMFCD00005957CHEMBL94341-Fenylpiperazin1-Fenylpiperazin [Czech]N-phenylpiperazinCCRIS 4334

Database identifiers

CAS: 4004-95-9、92-54-6
PubChem CID: 7096
DTXSID: DTXSID8057855
ChEMBL: CHEMBL9434
UNII: J9225CBI7D
EC Number: 202-165-6
Nikkaji: J35.451A

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 124

Experimental & physicochemical properties

Dissociation Constants9

Physicochemical properties

Melting point: 221 · 221-223°C
storage temp.: Hygroscopic, Refrigerator, Under Inert Atmosphere
solubility: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
form: Solid
color: White to Off-White
Stability: Hygroscopic
FDA UNII: 8 Y494LR4W · T8Y494LR4W
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (96.9%): Toxic if swallowed [Danger Acute toxicity, oral]；H310 (36.9%): Fatal in contact with skin [Danger Acute toxicity, dermal]；H311 (61.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H314 (98.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P262, P264, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 65 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 3 items

Status: Active Update: 09-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21606

Piperazine, 1-phenyl-, dihydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Phenylpiperazine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (96.9%)；Acute Tox. 2 (36.9%)；Acute Tox. 3 (61.5%)；Skin Corr. 1B (98.5%)

Regulatory information

Regulatory Information · 3 items

Status: Active Update: 09-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21606

Phenylpiperazine: Does not have an individual approval but may be used under an appropriate group standard

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.

A loosely defined grouping of drugs that have effects on psychological function. Here the psychotropic agents include the antidepressive agents, hallucinogens, and tranquilizing agents (including the antipsychotics and anti-anxiety agents).