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792180-52-0

Basic Information
CAS No.: 792180-52-0
Name: 5-BROMO-2-(PIPERIDIN-4-YLOXY)PYRIMIDINE
Molecular Structure:
Molecular Structure of 792180-52-0 (5-BROMO-2-(PIPERIDIN-4-YLOXY)PYRIMIDINE)
Formula: C9H12BrN3O
Molecular Weight: 258.12
Synonyms: 5-BROMO-2-(PIPERIDIN-4-YLOXY)PYRIMIDINE
Density: 1.478 g/cm3
Boiling Point: 379.5 °C at 760 mmHg
Flash Point: 183.3 °C
PSA: 47.04000
LogP: 1.69870
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Specification

The Pyrimidine,5-bromo-2-(4-piperidinyloxy)- is an organic compound with the formula C9H12BrN3O. With the CAS registry number 792180-52-0, the systematic name of this chemical is 5-bromo-2-(4-piperidyloxy)pyrimidine.

Physical properties about Pyrimidine,5-bromo-2-(4-piperidinyloxy)- are: (1)ACD/LogP: 1.19 ; (2)#H bond acceptors: 4; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 47.04 Å2; (6)Index of Refraction: 1.561; (7)Molar Refractivity: 56.57 cm3; (8)Molar Volume: 174.6 cm3; (9)Polarizability: 22.42×10-24cm3; (10)Surface Tension: 49.4 dyne/cm; (11)Density: 1.478 g/cm3; (12)Flash Point: 183.3 °C; (13)Enthalpy of Vaporization: 62.76 kJ/mol; (14)Boiling Point: 379.5 °C at 760 mmHg; (15)Vapour Pressure: 5.81E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cnc(n1)OC2CCNCC2)Br
(2)InChI: InChI=1/C9H12BrN3O/c10-7-5-12-9(13-6-7)14-8-1-3-11-4-2-8/h5-6,8,11H,1-4H2
(3)InChIKey: BHBAYAHFPQOLRL-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H12BrN3O/c10-7-5-12-9(13-6-7)14-8-1-3-11-4-2-8/h5-6,8,11H,1-4H2
(5)Std. InChIKey: BHBAYAHFPQOLRL-UHFFFAOYSA-N