1-(3-Chlorophenyl)piperazin-2-one hydrochloride supplier

Name
1-(3-Chlorophenyl)piperazin-2-one hydrochloride
EINECS
CAS No. 183500-94-9
Article Data7
CAS DataBase
Density
Solubility
Melting Point
Formula C₁₀H₁₂Cl₂N₂O
Boiling Point 443.9 °C at 760 mmHg
Molecular Weight 247.124
Flash Point 222.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Piperazinone, 1-(3-chlorophenyl)-, monohydrochloride (9CI);1-(3-Chlorophenyl)piperazin-2-one hydrochloride (1:1);
PSA 32.34000
LogP 2.47200

1-(3-Chlorophenyl)piperazin-2-one hydrochloride Specification

The 2-Piperazinone, 1-(3-chlorophenyl)-, hydrochloride (1:1), with the CAS registry number 183500-94-9, is also known as Piperazinone, 1-(3-chlorophenyl)-, monohydrochloride (9CI). This chemical's molecular formula is C₁₀H₁₂Cl₂N₂O and molecular weight is 247.12 . What's more, its systematic name is 1-(3-chlorophenyl)piperazin-2-one hydrochloride (1:1).

Physical properties of 2-Piperazinone, 1-(3-chlorophenyl)-, hydrochloride (1:1) are: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 18; (8)ACD/KOC (pH 7.4): 107; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.55 Å²; (13)Flash Point: 222.3 °C; (14)Enthalpy of Vaporization: 70.16 kJ/mol; (15)Boiling Point: 443.9 °C at 760 mmHg; (16)Vapour Pressure: 4.47E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Clc2cc(N1C(=O)CNCC1)ccc2
(2)InChI: InChI=1S/C10H11ClN2O.ClH/c11-8-2-1-3-9(6-8)13-5-4-12-7-10(13)14;/h1-3,6,12H,4-5,7H2;1H
(3)InChIKey: NZULMVLNYMMNLJ-UHFFFAOYSA-N

Product Name

1-(3-Chlorophenyl)piperazin-2-one hydrochloride

1-(3-Chlorophenyl)piperazin-2-one hydrochloride Specification

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