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CAS No.: | 124782-95-2 |
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Name: | 6-BROMO-2-PIPERAZIN-1-YL-QUINOLINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C13H14BrN3 |
Molecular Weight: | 292.178 |
Synonyms: | 6-Bromo-2-(piperazin-1-yl)quinoline;6-Bromoquipazine; |
Density: | 1.451 g/cm3 |
Boiling Point: | 451.8 °C at 760 mmHg |
Flash Point: | 227 °C |
PSA: | 28.16000 |
LogP: | 2.80070 |
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The CAS register number of Quinoline,6-bromo-2-(1-piperazinyl)- is 124782-95-2. It also can be called as 6-Bromoquipazine and the IUPAC name about this chemical is 6-bromo-2-piperazin-1-ylquinoline. The molecular formula about this chemical is C13H14BrN3 and the molecular weight is 292.17.
Physical properties about Quinoline,6-bromo-2-(1-piperazinyl)- are: (1)ACD/LogP: 2.34; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 19.37 Å2; (6)Index of Refraction: 1.65; (7)Molar Refractivity: 73.42 cm3; (8)Molar Volume: 201.2 cm3; (9)Polarizability: 29.1x10-24cm3; (10)Surface Tension: 52 dyne/cm; (11)Density: 1.451 g/cm3; (12)Flash Point: 227 °C; (13)Enthalpy of Vaporization: 71.09 kJ/mol; (14)Boiling Point: 451.8 °C at 760 mmHg; (15)Vapour Pressure: 2.37E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc3cc1c(nc(cc1)N2CCNCC2)cc3
(2)InChI: InChI=1/C13H14BrN3/c14-11-2-3-12-10(9-11)1-4-13(16-12)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2
(3)InChIKey: MKIHFWMBAKJYJL-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C13H14BrN3/c14-11-2-3-12-10(9-11)1-4-13(16-12)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2
(5)Std. InChIKey: MKIHFWMBAKJYJL-UHFFFAOYSA-N