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2-Piperazinone,1-(4-chlorophenyl)- (55083-85-7)

Identification
Name:2-Piperazinone,1-(4-chlorophenyl)-
Synonyms:Piperazinone,1-(4-chlorophenyl)- (9CI);1-(4-Chlorophenyl)piperazin-2-one;
CAS:55083-85-7
Molecular Formula: C10H11ClN2O
Molecular Weight: 210.66
InChI: InChI=1/C10H11ClN2O/c11-8-1-3-9(4-2-8)13-6-5-12-7-10(13)14/h1-4,12H,5-7H2
Molecular Structure: (C10H11ClN2O) Piperazinone,1-(4-chlorophenyl)- (9CI);1-(4-Chlorophenyl)piperazin-2-one;
Properties
Density:1.268 g/cm3
Refractive index:1.574
Specification:

The CAS register number of 1-(4-Chlorophenyl)piperazin-2-one is 55083-85-7. It also can be called as 2-Piperazinone,1-(4-chlorophenyl)- and the IUPAC name about this chemical is 1-(4-chlorophenyl)piperazin-2-one. The molecular formula about this chemical is C10H11ClN2O and the molecular weight is 210.66.

Physical properties about 1-(4-Chlorophenyl)piperazin-2-one are: (1)ACD/LogP: 1.30; (2)ACD/LogD (pH 5.5): 0.124; (3)ACD/LogD (pH 7.4): 1.231; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 4.881; (6)ACD/KOC (pH 5.5): 8.06; (7)ACD/KOC (pH 7.4): 103.296; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 32.34Å2; (12)Index of Refraction: 1.574; (13)Molar Refractivity: 54.831 cm3; (14)Molar Volume: 166.182 cm3; (15)Polarizability: 21.737x10-24cm3; (16)Surface Tension: 45.363 dyne/cm; (17)Enthalpy of Vaporization: 70.142 kJ/mol; (18)Boiling Point: 443.73 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1N2CCNCC2=O)Cl
(2)InChI: InChI=1/C10H11ClN2O/c11-8-1-3-9(4-2-8)13-6-5-12-7-10(13)14/h1-4,12H,5-7H2
(3)InChIKey: AUMTVFGNDZYDRE-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H11ClN2O/c11-8-1-3-9(4-2-8)13-6-5-12-7-10(13)14/h1-4,12H,5-7H2
(5)Std. InChIKey: AUMTVFGNDZYDRE-UHFFFAOYSA-N

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