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. |
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