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1,4-Dibenzylpiperazine dihydrochloride

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Name

1,4-Dibenzylpiperazine dihydrochloride

EINECS N/A
CAS No. 2298-55-7 Density N/A
PSA 6.48000 LogP 3.68220
Solubility N/A Melting Point 283-287 °C
Formula C18H22N2·2ClH Boiling Point 376.9 °C at 760 mmHg
Molecular Weight 339.30 Flash Point 166.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2298-55-7 (1,4-Dibenzylpiperazine (hydrochloride)) Hazard Symbols N/A
Synonyms

Piperazine,1,4-dibenzyl-, dihydrochloride (7CI,8CI);

 

1,4-Dibenzylpiperazine dihydrochloride Specification

The 1,4-Dibenzylpiperazine dihydrochloride, with the CAS registry number 2298-55-7, is also known as Piperazine,1,4-bis(phenylmethyl)-, hydrochloride (1:2). This chemical's molecular formula is C18H22N2·2ClH and molecular weight is 339.30. What's more, its systematic name is 1,4-Dibenzylpiperazine dihydrochloride. Its classification code is Drug / Therapeutic Agent.

Physical properties of 1,4-Dibenzylpiperazine dihydrochloride are: (1)ACD/LogP: 2.453; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 6.48 Å2; (7)Flash Point: 166.4 °C; (8)Enthalpy of Vaporization: 62.46 kJ/mol; (9)Boiling Point: 376.9 °C at 760 mmHg; (10)Vapour Pressure: 7.03E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.c1c(cccc1)CN2CCN(CC2)Cc3ccccc3
(2)Std. InChI: InChI=1S/C18H22N2.2ClH/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18;;/h1-10H,11-16H2;2*1H
(3)Std. InChIKey: UCILLTLOMFHVRO-UHFFFAOYSA-N

The toxicity data is as follows:  

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 520mg/kg (520mg/kg)   Journal of the American Chemical Society. Vol. 76, Pg. 5091, 1954.
mouse LD50 subcutaneous 400mg/kg (400mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 628, 1959.