CAS No.4774-24-7,Quipazine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4774-24-7
Name:	Quipazine
Article Data:	20

Formula:	C₁₃H₁₅N₃
Molecular Weight:	213.282
Synonyms:	1-(2-Quinolinyl)piperazine;1-(2-Quinolyl)piperazine;2-(1-Piperazinyl)quinoline;2-Piperazinoquinoline;Quipazine;
EINECS:	227-314-2
Density:	1.152 g/cm³
Melting Point:	120-122°C(lit.)
Boiling Point:	403.7 °C at 760 mmHg
Flash Point:	198 °C
Solubility:	Soluble in water
Appearance:	White solid
PSA:	177.36000
LogP:	1.46180

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Specification

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.