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CAS No.: | 85896-25-9 |
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Name: | 2,2'-[[4,6-bis(allyloxy)-1,3,5-triazin-2-yl]imino]bisethanol |
Molecular Structure: | |
Formula: | C13H20N4O4 |
Molecular Weight: | 296.326 |
Synonyms: | Ethanol,2,2'-[[4,6-bis(2-propenyloxy)-1,3,5-triazin-2-yl]imino]bis- (9CI);2,2'-[[4,6-Bis(allyloxy)-1,3,5-triazin-2-yl]imino]bisethanol;2-[(4,6-Diallyloxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol; |
EINECS: | 288-801-3 |
Density: | 1.238 g/cm3 |
Boiling Point: | 493.8 °C at 760 mmHg |
Flash Point: | 252.5 °C |
PSA: | 100.83000 |
LogP: | -0.20780 |
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The Ethanol,2,2'-[[4,6-bis(2-propen-1-yloxy)-1,3,5-triazin-2-yl]imino]bis-, with the CAS registry number 85896-25-9, is also known as 2,2'-[[4,6-Bis(allyloxy)-1,3,5-triazin-2-yl]imino]bisethanol. Its EINECS number is 288-801-3. This chemical's molecular formula is C13H20N4O4 and molecular weight is 296.32. What's more, its systematic name is 2-[(4,6-diallyloxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol.
Physical properties of Ethanol,2,2'-[[4,6-bis(2-propen-1-yloxy)-1,3,5-triazin-2-yl]imino]bis- are: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/LogD (pH 7.4): 0.06; (5)#H bond acceptors: 8; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 13; (8)Polar Surface Area: 100.83 Å2; (9)Index of Refraction: 1.569; (10)Molar Refractivity: 78.51 cm3; (11)Molar Volume: 239.3 cm3; (12)Polarizability: 31.12×10-24cm3; (13)Surface Tension: 56.1 dyne/cm; (14)Density: 1.238 g/cm3; (15)Flash Point: 252.5 °C; (16)Enthalpy of Vaporization: 80.15 kJ/mol; (17)Boiling Point: 493.8 °C at 760 mmHg; (18)Vapour Pressure: 1.44E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCN(CCO)c1nc(OCC=C)nc(OCC=C)n1
(2)InChI: InChI=1S/C13H20N4O4/c1-3-9-20-12-14-11(17(5-7-18)6-8-19)15-13(16-12)21-10-4-2/h3-4,18-19H,1-2,5-10H2
(3)InChIKey: YAQKVHDUVGFABU-UHFFFAOYSA-N