CAS No.73406-97-0,5-BROMO-2-(PIPERAZIN-1-YL)PYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	73406-97-0
Name:	5-BROMO-2-(PIPERAZIN-1-YL)PYRIDINE
Article Data:	13

Formula:	C₉H₁₂BrN₃
Molecular Weight:	242.118
Synonyms:	1-(5-Bromo-2-pyridinyl)piperazine;1-(5-Bromopyrid-2-yl)piperazine;1-(5-Bromopyridin-2-yl)piperazine;
Density:	1.449g/cm³
Boiling Point:	366.687 °C at 760 mmHg
Flash Point:	175.567 °C
Hazard Symbols:	Xi
Risk Codes:	22
PSA:	28.16000
LogP:	1.64750

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Specification

The 5-Bromo-2-(piperazin-1-yl)pyridine, with CAS registry number 73406-97-0, belongs to the following product categories: (1)Pharmacetical; (2)API intermediates; (3)Organohalides; (4)Pyridine. It has the systematic name of 1-(5-bromopyridin-2-yl)piperazine. And the chemical formula of this chemical is C₉H₁₂BrN₃.

Physical properties of 5-Bromo-2-(piperazin-1-yl)pyridine: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.334; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 13.316; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 28.16 Å²; (12)Index of Refraction: 1.58; (13)Molar Refractivity: 55.587 cm³; (14)Molar Volume: 167.143 cm³; (15)Polarizability: 22.036×10^-24cm³; (16)Surface Tension: 46.126 dyne/cm; (17)Enthalpy of Vaporization: 61.313 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ncc1Br)N2CCNCC2
(2)InChI: InChI=1/C9H12BrN3/c10-8-1-2-9(12-7-8)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2
(3)InChIKey: UBJBNGGYLBVCJF-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H12BrN3/c10-8-1-2-9(12-7-8)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2
(5)Std. InChIKey: UBJBNGGYLBVCJF-UHFFFAOYSA-N