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 80584-91-4 details
The 2,4,6-Tri-(6-aminocaproic acid)-1,3,5-triazine, with the CAS registry number 80584-91-4,is also known as 6,6',6''-(1,3,5-Triazine-2,4,6-triyltriimino)trihexanoic acid; ; Belcor 590; Irgacor L 190; Corrosion inhibitor ABC 730. It belongs to the product categories of Organic matters. This chemical's molecular formula is C21H36N6O6 and molecular weight is 468.55. Its EINECS number is 279-505-5.What's more,Its systematic name is 6,6',6''-(1,3,5-Triazine-2,4,6-triyltriimino)trihexanoic acid.
Physical properties about 2,6-Diaminotoluene(cas 80584-91-4) are:
(1)ACD/LogP:  2.162; 
(2)# of Rule of 5 Violations:  2; 
(3)ACD/LogD (pH 5.5):  -0.82; 
(4)ACD/LogD (pH 7.4):  -3.33; 
(5)ACD/BCF (pH 5.5):  1.00; 
(6)ACD/BCF (pH 7.4):  1.00; 
(7)ACD/KOC (pH 5.5):  1.00; 
(8)ACD/KOC (pH 7.4):  1.00; 
(9)#H bond acceptors:  12; 
(10)#H bond donors:  6; 
(11)#Freely Rotating Bonds:  18; 
(12)Index of Refraction:  1.604; 
(13)Molar Refractivity:  123.542 cm3  ; 
(14)Molar Volume:  358.951 cm3; 
(15)Surface Tension:  67.4120025634766 dyne/cm; 
(16)Density:  1.305 g/cm3; 
(17)Flash Point:  421.805 C; 
(18)Enthalpy of Vaporization:  118.16 kJ/mol; 
(19)Boiling Point:  773.842 C at 760 mmHg; 
(20)Vapour Pressure:  0 mmHg at 25C.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(O)CCCCCNc1nc(nc(n1)NCCCCCC(=O)O)NCCCCCC(=O)O;
(2)Std. InChI:InChI=1S/C21H36N6O6/c28-16(29)10-4-1-7-13-22-19-25-20(23-14-8-2-5-11-17(30)31)27-21(26-19)24-15-9-3-6-12-18(32)33/h1-15H2,(H,28,29)(H,30,31)(H,32,33)(H3,22,23,24,25,26,27);
(3)Std. InChIKey:BKKWPPMEXIXECW-UHFFFAOYSA-N.
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