2-Piperazinone,1-(3-chlorophenyl)- supplier

Name
1-(3-CHLORO-PHENYL)-PIPERAZIN-2-ONE
EINECS
CAS No. 183500-70-1
Article Data5
CAS DataBase
Density 1.268 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁ClN₂O
Boiling Point 443.887 °C at 760 mmHg
Molecular Weight 210.66
Flash Point 222.255 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(3-Chlorophenyl)-2-piperazinone;Piperazinone,1-(3-chlorophenyl)- (9CI);1-(3-Chlorophenyl)piperazin-2-one;
PSA 32.34000
LogP 1.67000

2-Piperazinone,1-(3-chlorophenyl)- Specification

The 2-Piperazinone,1-(3-chlorophenyl)-, with the CAS registry number 183500-70-1, is also known as 1-(3-Chlorophenyl)-2-piperazinone. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₀H₁₁ClN₂O and molecular weight is 210.66. What's more, its systematic name is 1-(3-Chlorophenyl)piperazin-2-one.

Physical properties of 2-Piperazinone,1-(3-chlorophenyl)- are: (1)ACD/LogP: 1.64; (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: 32.34 Å²; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 54.831 cm³; (15)Molar Volume: 166.182 cm³; (16)Polarizability: 21.737×10^-24cm³; (17)Surface Tension: 45.363 dyne/cm; (18)Density: 1.268 g/cm³; (19)Flash Point: 222.255 °C; (20)Enthalpy of Vaporization: 70.161 kJ/mol; (21)Boiling Point: 443.887 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(C(=O)CN1)C2=CC(=CC=C2)Cl
(2)InChI: InChI=1S/C10H11ClN2O/c11-8-2-1-3-9(6-8)13-5-4-12-7-10(13)14/h1-3,6,12H,4-5,7H2
(3)InChIKey: SQLHSSGGJDQOTB-UHFFFAOYSA-N

Product Name

1-(3-CHLORO-PHENYL)-PIPERAZIN-2-ONE

2-Piperazinone,1-(3-chlorophenyl)- Specification

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