2-Pyrazinamine,5-bromo-3-(4-morpholinyl)- supplier

Name
2-AMINO-5-BROMO-3-MORPHOLIN-4-YLPYRAZINE
EINECS
CAS No. 117719-17-2
Article Data12
CAS DataBase
Density 1.643 g/cm³
Solubility
Melting Point
Formula C₈H₁₁BrN₄O
Boiling Point 417.029 °C at 760 mmHg
Molecular Weight 259.106
Flash Point 206.012 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazinamine,5-bromo-3-(4-morpholinyl)- (9CI);2-Amino-5-bromo-3-morpholinylpyrazine;5-Bromo-3-morpholinopyrazin-2-amine;
PSA 64.27000
LogP 1.30410

2-Pyrazinamine,5-bromo-3-(4-morpholinyl)- Specification

The 2-Pyrazinamine, 5-bromo-3-(4-morpholinyl)-, with the CAS registry number of 117719-17-2, is also known as 5-Bromo-3-(morpholin-4-yl)pyrazin-2-amine. This chemical's molecular formula is C₈H₁₁BrN₄O and molecular weight is 259.1031. What's more, its IUPAC name is 5-Bromo-3-morpholin-4-ylpyrazin-2-amine.

Physical properties about 2-Pyrazinamine, 5-bromo-3-(4-morpholinyl)- are: (1)ACD/LogP: 2.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.822; (4)ACD/LogD (pH 7.4): 2.826; (5)ACD/BCF (pH 5.5): 82.03; (6)ACD/BCF (pH 7.4): 82.754; (7)ACD/KOC (pH 5.5): 813.833; (8)ACD/KOC (pH 7.4): 821.011; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 64.27 Å²; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 56.172 cm³; (15)Molar Volume: 157.657 cm³; (16)Surface Tension: 67.066 dyne/cm; (17)Density: 1.643 g/cm³; (18)Flash Point: 206.012 °C; (19)Enthalpy of Vaporization: 67.036 kJ/mol; (20)Boiling Point: 417.029 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(nc(c(n1)N)N2CCOCC2)Br
(2) InChI: InChI=1/C8H11BrN4O/c9-6-5-11-7(10)8(12-6)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11)
(3) InChIKey: CWVGSOUZYXNHLF-UHFFFAOYAG

Product Name

2-AMINO-5-BROMO-3-MORPHOLIN-4-YLPYRAZINE

2-Pyrazinamine,5-bromo-3-(4-morpholinyl)- Specification

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