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1-Piperazinecarboxamide, N-phenyl-4-(2-quinolinylmethyl)-

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Name

1-Piperazinecarboxamide, N-phenyl-4-(2-quinolinylmethyl)-

EINECS
CAS No. 898235-65-9 Density 1.27 g/cm3
Solubility Melting Point
Formula C21H22N4O Boiling Point 564.475 °C at 760 mmHg
Molecular Weight 346.4256 Flash Point 295.184 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 898235-65-9 (1-Piperazinecarboxamide, N-phenyl-4-(2-quinolinylmethyl)-) Hazard Symbols
Synonyms

PF-622

 

1-Piperazinecarboxamide, N-phenyl-4-(2-quinolinylmethyl)- Specification

The 1-Piperazinecarboxamide, N-phenyl-4-(2-quinolinylmethyl)- is an organic compound with the formula C21H22N4O. The systematic name of this chemical is N-Phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide. The CAS registry number of this chemical is 87797-84-0. Besides, its molecular weight is 346.4256.

Physical properties about 1-Piperazinecarboxamide, N-phenyl-4-(2-quinolinylmethyl)- are: (1)(1)ACD/LogP: 3.28; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 10; (5)ACD/BCF (pH 7.4): 27; (6)ACD/KOC (pH 5.5): 140; (7)ACD/KOC (pH 7.4): 368; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 48.47 Å2; (12)Index of Refraction: 1.691; (13)Molar Refractivity: 104.433 cm3; (14)Molar Volume: 272.811 cm3; (15)Polarizability: 41.401×10-24 cm3; (16)Surface Tension: 65.1 dyne/cm; (17)Density: 1.27 g/cm3; (18)Flash Point: 295.184 °C; (19)Enthalpy of Vaporization: 84.808 kJ/mol; (20)Boiling Point: 564.475 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C21H22N4O/c26-21(23-18-7-2-1-3-8-18)25-14-12-24(13-15-25)16-19-11-10-17-6-4-5-9-20(17)22-19/h1-11H,12-16H2,(H,23,26)
(2)InChIKey: SNTCRRMCALVGNL-UHFFFAOYAH
(3)Std. InChI: InChI=1S/C21H22N4O/c26-21(23-18-7-2-1-3-8-18)25-14-12-24(13-15-25)16-19-11-10-17-6-4-5-9-20(17)22-19/h1-11H,12-16H2,(H,23,26)
(4)Std. InChIKey: SNTCRRMCALVGNL-UHFFFAOYSA-N

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