Product Name

  • Name

    2-AMINO-5-BROMO-3-(ETHYLAMINO)PYRAZINE

  • EINECS
  • CAS No. 117719-10-5
  • Article Data1
  • CAS DataBase
  • Density 1.665 g/cm3
  • Solubility
  • Melting Point
  • Formula C6H9BrN4
  • Boiling Point 329 °C at 760 mmHg
  • Molecular Weight 217.068
  • Flash Point 152.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 117719-10-5 (2-AMINO-5-BROMO-3-(ETHYLAMINO)PYRAZINE)
  • Hazard Symbols
  • Synonyms 2-Amino-5-bromo-3-ethylaminopyrazine;
  • PSA 63.83000
  • LogP 1.90730

2, 3-Pyrazinediamine, 5-bromo-N3-ethyl- Specification

The 2, 3-Pyrazinediamine, 5-bromo-N3-ethyl-, with the CAS registry number of 117719-10-5, is also known as 2-Amino-5-bromo-3-(ethylamino)pyrazine. This chemical's molecular formula is C6H9BrN4 and molecular weight is 217.07. What's more, its systematic name is called 5-Bromo-N3-ethylpyrazine-2, 3-diamine.

Physical properties about 2, 3-Pyrazinediamine, 5-bromo-N3-ethyl- are: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 67.89; (6)ACD/BCF (pH 7.4): 67.96; (7)ACD/KOC (pH 5.5): 712.35; (8)ACD/KOC (pH 7.4): 713.06; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 63.83 Å2; (13)Index of Refraction: 1.668; (14)Molar Refractivity: 48.6 cm3; (15)Molar Volume: 130.3 cm3; (16)Surface Tension: 65.4 dyne/cm; (17)Density: 1.665 g/cm3; (18)Flash Point: 152.8 °C; (19)Enthalpy of Vaporization: 57.14 kJ/mol; (20)Boiling Point: 329 °C at 760 mmHg; (21)Vapour Pressure: 0.000183 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCNc1c(ncc(n1)Br)N
(2) InChI: InChI=1/C6H9BrN4/c1-2-9-6-5(8)10-3-4(7)11-6/h3H,2H2,1H3,(H2,8,10)(H,9,11)
(3) InChIKey: FYOJEGNMDFDYBZ-UHFFFAOYAV

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