The Quipazine, with the CAS registry number 4774-24-7, is also known as Quinoline, 2-(1-piperazinyl)-. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C13H15N3 and molecular weight is 213.28. Its systematic name is called 2-(piperazin-1-yl)quinoline. Quipazine is a piperazine drug used in scientific research. This chemical's classification codes are Antidepressive Agents; Antidepressive agents, second-generation; Central Nervous System Agents; Drug / Therapeutic Agent; Neurotransmitter Agents; Oxytocics; Psychotropic Drugs; Reproductive Control Agents; Serotonin Agents; Serotonin agonists.
Physical properties of Quipazine: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.26; (4)ACD/LogD (pH 7.4): 0.5; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 14.19; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.628; (13)Molar Refractivity: 65.73 cm3; (14)Molar Volume: 185 cm3; (15)Surface Tension: 48.9 dyne/cm; (16)Density: 1.152 g/cm3; (17)Flash Point: 198 °C; (18)Enthalpy of Vaporization: 65.5 kJ/mol; (19)Boiling Point: 403.7 °C at 760 mmHg; (20)Vapour Pressure: 9.98E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c3c(ccc1N2CCNCC2)cccc3
(2)InChI: InChI=1/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
(3)InChIKey: XRXDAJYKGWNHTQ-UHFFFAOYAV
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 135mg/kg (135mg/kg) | Journal of Medicinal Chemistry. Vol. 28, Pg. 1394, 1985. | |
mouse | LD50 | oral | 296mg/kg (296mg/kg) | Drug Development Research. Vol. 3, Pg. 357, 1983. |
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