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92928-18-2

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Basic Information
CAS No.: 92928-18-2
Name: 1-ACETYL-4-(2-CHLORO-ETHYL)-PIPERAZINE HCL
Molecular Structure:
Molecular Structure of 92928-18-2 (1-ACETYL-4-(2-CHLORO-ETHYL)-PIPERAZINE HCL)
Formula: C8H15ClN2O.HCl
Molecular Weight: 227.13
Synonyms: Piperazine,1-acetyl-4-(2-chloroethyl)-, monohydrochloride (9CI);1-Acetyl-4-(2-chloroethyl)piperazinehydrochloride;1-[4-(2-Chloroethyl)piperazin-1-yl]ethanone hydrochloride (1:1);1-Acetyl-4-(2-chloroethyl)-piperazine;1-Acetyl-4-(2-chloro-ethyl)-piperazine hydrochloride;
EINECS: 673-889-1
Density: 232°C
Melting Point: 232°C
Boiling Point: 344.9 °C at 760 mmHg
Flash Point: 162.4 °C
PSA: 23.55000
LogP: 1.06710
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Specification

The Ethanone,1-[4-(2-chloroethyl)-1-piperazinyl]-, hydrochloride (1:1), with the CAS registry number 92928-18-2, has the systematic name of 1-acetyl-4-(2-chloroethyl)piperazine hydrochloride. It belongs to the product category of Piperaizine. And the molecular formula of the chemical is C8H15ClN2O.HCl.

The characteristics of Ethanone,1-[4-(2-chloroethyl)-1-piperazinyl]-, hydrochloride (1:1) are as followings: (1)ACD/LogP: 0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.1; (4)ACD/LogD (pH 7.4): 0.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.91; (8)ACD/KOC (pH 7.4): 31.12; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å2; (13)Flash Point: 162.4 °C; (14)Enthalpy of Vaporization: 60.06 kJ/mol; (15)Boiling Point: 344.9 °C at 760 mmHg; (16)Vapour Pressure: 4.52E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.ClCCN1CCN(CC1)C(C)=O
(2)InChI: InChI=1/C8H15ClN2O.ClH/c1-8(12)11-6-4-10(3-2-9)5-7-11;/h2-7H2,1H3;1H
(3)InChIKey: SYABQUJKMRQKML-UHFFFAOYAB