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Name |
Methanone,(2-chlorophenyl)-1-piperazinyl- |
EINECS | N/A |
CAS No. | 13754-45-5 | Density | 1.231 g/cm3 |
PSA | 32.34000 | LogP | 1.65210 |
Solubility | N/A | Melting Point |
195 °C |
Formula | C11H13ClN2O | Boiling Point | 383.8 °C at 760 mmHg |
Molecular Weight | 224.69 | Flash Point | 185.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 22-36 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Piperazine,1-(2-chlorobenzoyl)- (9CI);Piperazine, 1-(o-chlorobenzoyl)- (8CI); |
Article Data | 6 |
The Methanone,(2-chlorophenyl)-1-piperazinyl-, with CAS registry number 13754-45-5, belongs to the following product category: Piperazines. It has the systematic name of (2-chlorophenyl)(piperazin-1-yl)methanone. And the chemical formula fo this chemical is C11H13ClN2O.
Physical properties of Methanone,(2-chlorophenyl)-1-piperazinyl-: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.29; (4)ACD/LogD (pH 7.4): 0.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 21.89; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 59.9 cm3; (15)Molar Volume: 182.5 cm3; (16)Polarizability: 23.74×10-24cm3; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 1.231 g/cm3; (19)Flash Point: 185.9 °C; (20)Enthalpy of Vaporization: 63.23 kJ/mol; (21)Boiling Point: 383.8 °C at 760 mmHg; (22)Vapour Pressure: 4.3E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1Cl)N2CCNCC2
(2)InChI: InChI=1/C11H13ClN2O/c12-10-4-2-1-3-9(10)11(15)14-7-5-13-6-8-14/h1-4,13H,5-8H2
(3)InChIKey: UKXGHBPPSTVPJO-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C11H13ClN2O/c12-10-4-2-1-3-9(10)11(15)14-7-5-13-6-8-14/h1-4,13H,5-8H2
(5)Std. InChIKey: UKXGHBPPSTVPJO-UHFFFAOYSA-N