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| CAS No.: | 80584-91-4 |
|---|---|
| Name: | 2,4,6-Tri-(6-aminocaproic acid)-1,3,5-triazine |
| Molecular Structure: | |
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| Formula: | C21H36N6O6 |
| Molecular Weight: | 468.55 |
| Synonyms: | Hexanoicacid, 6,6',6''-(s-triazine-2,4,6-triyltriimino)tri- (7CI);1,3,5-Triazine-2,4,6-triaminocaproic acid;6,6',6''-(1,3,5-Triazine-2,4,6-triyltriimino)tris(hexanoic acid);Belcor 590;Irgacor L 190;Irgacor L 190 Plus;2,4,6-Tri-(6-aminocaproic acid)-1,3,5-triazine; |
| EINECS: | 279-505-5 |
| Density: | 1.305 g/cm3 |
| Melting Point: | 186-188 °C(Solv: acetic acid (64-19-7)) |
| Boiling Point: | 773.8 °C at 760 mmHg |
| Flash Point: | 421.8 °C |
| Solubility: | 1.3mg/L at 25℃ |
| Appearance: | white, water-containing wet cake |
| PSA: | 186.66000 |
| LogP: | 3.26130 |
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Specification
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 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 25°C.
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.