2-Pyrazinamine,5-bromo-3-(1-piperazinyl)- supplier

Name
2-AMINO-5-BROMO-3-PIPERAZIN-1-YLPYRAZINE
EINECS
CAS No. 893611-67-1
Density 1.587 g/cm³
Solubility
Melting Point
Formula C₈H₁₂BrN₅
Boiling Point 428.528 °C at 760 mmHg
Molecular Weight 258.11838
Flash Point 212.966 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-bromo-3-piperazin-1-ylpyrazin-2-amine
PSA 67.07000
LogP 1.20590

2-Pyrazinamine,5-bromo-3-(1-piperazinyl)- Specification

The 2-Pyrazinamine,5-bromo-3-(1-piperazinyl)-, with CAS registry number 893611-67-1, has the systematic name of 5-bromo-3-piperazin-1-yl-pyrazin-2-amine. And its IUPAC name is the same one. And the chemical formula of this chemical is C₈H₁₂BrN₅.

Physical properties of 2-Pyrazinamine,5-bromo-3-(1-piperazinyl)-: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.858; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.792; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 33.357; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 67.07 Å²; (12)Index of Refraction: 1.631; (13)Molar Refractivity: 57.915 cm³; (14)Molar Volume: 162.647 cm³; (15)Polarizability: 22.959×10^-24cm³; (16)Surface Tension: 63.474 dyne/cm; (17)Enthalpy of Vaporization: 68.368 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(nc(c(n1)N)N2CCNCC2)Br
(2)InChI: InChI=1/C8H12BrN5/c9-6-5-12-7(10)8(13-6)14-3-1-11-2-4-14/h5,11H,1-4H2,(H2,10,12)
(3)InChIKey: UMJBQCDGKLHYPT-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H12BrN5/c9-6-5-12-7(10)8(13-6)14-3-1-11-2-4-14/h5,11H,1-4H2,(H2,10,12)
(5)Std. InChIKey: UMJBQCDGKLHYPT-UHFFFAOYSA-N

Product Name

2-AMINO-5-BROMO-3-PIPERAZIN-1-YLPYRAZINE

2-Pyrazinamine,5-bromo-3-(1-piperazinyl)- Specification

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