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[4-(2-Chloro-4-nitrophenyl)-1-piperazinyl](5-methyl-3-phenyl-4-isoxazolyl)methanone

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Name

[4-(2-Chloro-4-nitrophenyl)-1-piperazinyl](5-methyl-3-phenyl-4-isoxazolyl)methanone

EINECS N/A
CAS No. 341001-38-5 Density 1.371 g/cm3
PSA 95.40000 LogP 4.70010
Solubility N/A Melting Point N/A
Formula C21H19ClN4O4 Boiling Point 673.8 °C at 760 mmHg
Molecular Weight 426.859 Flash Point 361.3 °C
Transport Information N/A Appearance N/A
Safety 45 Risk Codes 25
Molecular Structure Molecular Structure of 341001-38-5 (Methanone, [4-(2-chloro-4-nitrophenyl)-1-piperazinyl](5-methyl-3-phenyl-4-isoxazolyl)-) Hazard Symbols T
Synonyms

Piperazine,1-(2-chloro-4-nitrophenyl)-4-[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]- (9CI);

Article Data 3

[4-(2-Chloro-4-nitrophenyl)-1-piperazinyl](5-methyl-3-phenyl-4-isoxazolyl)methanone Specification

This chemical is called Methanone, [4-(2-chloro-4-nitrophenyl)-1-piperazinyl](5-methyl-3-phenyl-4-isoxazolyl)-, and its systematic name is 1-(2-chloro-4-nitrophenyl)-4-[(5-methyl-3-phenylisoxazol-4-yl)carbonyl]piperazine. With the molecular formula of C21H19ClN4O4, its molecular weight is 426.85. The CAS registry number of this chemical is 341001-38-5.

Other characteristics of the Methanone, [4-(2-chloro-4-nitrophenyl)-1-piperazinyl](5-methyl-3-phenyl-4-isoxazolyl)- can be summarised as followings: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 8; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 95.4 Å2; (7)Index of Refraction: 1.631; (8)Molar Refractivity: 110.91 cm3; (9)Molar Volume: 311.1 cm3; (10)Polarizability: 43.97×10-24cm3; (11)Surface Tension: 58.7 dyne/cm; (12)Density: 1.371 g/cm3; (13)Flash Point: 361.3 °C; (14)Enthalpy of Vaporization: 98.95 kJ/mol; (15)Boiling Point: 673.8 °C at 760 mmHg; (16)Vapour Pressure: 5.17E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: [O-][N+](=O)c1ccc(c(Cl)c1)N4CCN(C(=O)c3c(onc3c2ccccc2)C)CC4
2.InChI: InChI=1/C21H19ClN4O4/c1-14-19(20(23-30-14)15-5-3-2-4-6-15)21(27)25-11-9-24(10-12-25)18-8-7-16(26(28)29)13-17(18)22/h2-8,13H,9-12H2,1H3
3.InChIKey: OWXBJAPOSQSWAO-UHFFFAOYAB

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