CAS No.78213-63-5,PIRIBEDIL HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	78213-63-5
Name:	PIRIBEDIL HYDROCHLORIDE

Formula:	C₁₆H₁₉ClN₄O₂
Molecular Weight:	334.8007
Synonyms:	Pyrimidine,2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-, monohydrochloride (9CI);Piribedil hydrochloride;2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine hydrochloride;Pyrimidine, 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-, hydrochloride (1:1);2-(4-Piperonyl-1-piperazinyl)pyrimidine hydrochloride;Piribedil hydrochloride;Pyrimidine, 2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)-, monohydrochloride;
Boiling Point:	469.4 °C at 760 mmHg
Flash Point:	237.7 °C
PSA:	50.72000
LogP:	2.33240

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Specification

The Pyrimidine,2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-, hydrochloride (1:1), with the CAS registry number 78213-63-5, has the systematic name of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine hydrochloride. It belongs to the product category of Dopamine receptor. And the molecular formula of the chemical is C₁₆H₁₉ClN₄O₂.

The characteristics of Pyrimidine,2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-, hydrochloride (1:1) are as followings: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 13.41; (6)ACD/BCF (pH 7.4): 35.89; (7)ACD/KOC (pH 5.5): 167.73; (8)ACD/KOC (pH 7.4): 448.79; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 50.72 Å²; (13)Flash Point: 237.7 °C; (14)Enthalpy of Vaporization: 73.17 kJ/mol; (15)Boiling Point: 469.4 °C at 760 mmHg; (16)Vapour Pressure: 5.54E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.O1c2ccc(cc2OC1)CN4CCN(c3ncccn3)CC4
(2)InChI: InChI=1/C16H18N4O2.ClH/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14;/h1-5,10H,6-9,11-12H2;1H
(3)InChIKey: VRSRBPOCDOKYKT-UHFFFAOYAM

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	400mg/kg (400mg/kg)		Farmaco, Edizione Scientifica. Vol. 40, Pg. 477, 1985.