CAS No.85293-16-9,1-[2(2-Hydroxyethoxy)ethyl]piperazine dihydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	85293-16-9
Name:	1-[2(2-Hydroxyethoxy)ethyl]piperazine dihydrochloride

Formula:	C₈H₁₈N₂O₂^.2(HCl)
Molecular Weight:	247.16
Synonyms:	Ethanol,2-[2-(1-piperazinyl)ethoxy]-, dihydrochloride (9CI);
EINECS:	286-638-2
Boiling Point:	305.7 °C at 760 mmHg
Flash Point:	132.2 °C
Appearance:	white powder
PSA:	44.73000
LogP:	0.77120

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Specification

The Ethanol,2-[2-(1-piperazinyl)ethoxy]-, hydrochloride (1:2), with CAS registry number 85293-16-9, belongs to the following product categories: (intermediate of quetiapine fumarate). Its systematic name and its IUPAC name are the same, which is 2-(2-piperazin-1-ylethoxy)ethanol dihydrochloride. What's more, its EINECS is 286-638-2.

Physical properties of Ethanol,2-[2-(1-piperazinyl)ethoxy]-, hydrochloride (1:2): (1)ACD/LogP: -1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.14; (4)ACD/LogD (pH 7.4): -2.88; (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): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 24.94 Å²; (13)Enthalpy of Vaporization: 63.34 kJ/mol; (14)Vapour Pressure: 7.57E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.O(CCN1CCNCC1)CCO
(2)InChI: InChI=1/C8H18N2O2.2ClH/c11-6-8-12-7-5-10-3-1-9-2-4-10;;/h9,11H,1-8H2;2*1H
(3)InChIKey: JCYZKOJFYMJJTJ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H18N2O2.2ClH/c11-6-8-12-7-5-10-3-1-9-2-4-10;;/h9,11H,1-8H2;2*1H
(5)Std. InChIKey: JCYZKOJFYMJJTJ-UHFFFAOYSA-N