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42836-87-3

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Basic Information
CAS No.: 42836-87-3
Name: 3,3'-Dimethoxy-5,5'-bi-1,2,4-triazine
Article Data: 8
Molecular Structure:
Molecular Structure of 42836-87-3 (3,3'-Dimethoxy-5,5'-bi-1,2,4-triazine)
Formula: C8H8N6O2
Molecular Weight: 220.191
Synonyms: 3-Methoxy-5-(3-methoxy-1, 2, 4-triazin-5-yl)-1, 2, 4-triazine;
Density: 1.358 g/cm3
Boiling Point: 470.7 °C at 760 mmHg
Flash Point: 168.2 °C
PSA: 95.80000
LogP: -0.25920
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Specification

The 5, 5'-Bi-1, 2, 4-triazine, 3, 3'-dimethoxy-, with the CAS registry number of 42836-87-3, is also known as 3, 3'-Dimethoxy-5, 5'-bi-1, 2, 4-triazine. This chemical's molecular formula is C8H8N6O2 and molecular weight is 220.18812. What's more, its IUPAC name is 3-Methoxy-5-(3-methoxy-1, 2, 4-triazin-5-yl)-1, 2, 4-triazine.

Physical properties about 5, 5'-Bi-1, 2, 4-triazine, 3, 3'-dimethoxy- are: (1)ACD/LogP: -1.67; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 8; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 95.8 Å2; (7)Index of Refraction: 1.564; (8)Molar Refractivity: 52.74 cm3; (9)Molar Volume: 162 cm3; (10)Surface Tension: 64.2 dyne/cm; (11)Density: 1.358 g/cm3; (12)Flash Point: 168.2 °C; (13)Enthalpy of Vaporization: 70.52 kJ/mol; (14)Boiling Point: 470.7 °C at 760 mmHg; (15)Vapour Pressure: 1.41E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c(OC)nncc1c2nc(OC)nnc2
(2) InChI: InChI=1/C8H8N6O2/c1-15-7-11-5(3-9-13-7)6-4-10-14-8(12-6)16-2/h3-4H,1-2H3
(3) InChIKey: NUEBUZGZTDFPMP-UHFFFAOYAC