Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Bromo-2-(piperazin-1-yl)pyridine |
EINECS | N/A |
CAS No. | 73406-97-0 | Density | 1.449g/cm3 |
PSA | 28.16000 | LogP | 1.64750 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H12BrN3 | Boiling Point | 366.687 °C at 760 mmHg |
Molecular Weight | 242.118 | Flash Point | 175.567 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1-(5-Bromo-2-pyridinyl)piperazine;1-(5-Bromopyrid-2-yl)piperazine;1-(5-Bromopyridin-2-yl)piperazine; |
Article Data | 13 |
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