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| CAS No.: | 827614-48-2 |
|---|---|
| Name: | 1-(2,4-DICHLOROPHENYL)-PIPERAZINE DIHYDROCHLORIDE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C10H12Cl2N2.2(HCl) |
| Molecular Weight: | 267.586 |
| Synonyms: | Piperazine,1-(2,4-dichlorophenyl)-, dihydrochloride (9CI); |
| Boiling Point: | 362.6 °C at 760 mmHg |
| Flash Point: | 173.1 °C |
| PSA: | 15.27000 |
| LogP: | 2.79680 |
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Specification
The 1-(2,4-Dichlorophenyl)piperazine dihydrochloride with the CAS number 827614-48-2 is also called Piperazine,1-(2,4-dichlorophenyl)-, hydrochloride (1:2). Its molecular formula is C10H12Cl2N2.2(HCl). This chemical should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 12.57; (7)ACD/KOC (pH 5.5): 2.5; (8)ACD/KOC (pH 7.4): 125.8; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 6.48 Å2; (13)Enthalpy of Vaporization: 60.86 kJ/mol; (14)Vapour Pressure: 1.91×10-5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.Clc1cc(Cl)c(cc1)N2CCNCC2
(2)InChI: InChI=1/C10H12Cl2N2.2ClH/c11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14;;/h1-2,7,13H,3-6H2;2*1H
(3)InChIKey: XRNFGXBYBYIUPB-UHFFFAOYAM