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2,4,6-Tri-(6-aminocaproic acid)-1,3,5-triazine

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Name

2,4,6-Tri-(6-aminocaproic acid)-1,3,5-triazine

EINECS 279-505-5
CAS No. 80584-91-4 Density 1.305 g/cm3
PSA 186.66000 LogP 3.26130
Solubility 1.3mg/L at 25℃ Melting Point 186-188 °C(Solv: acetic acid (64-19-7))
Formula C21H36N6O6 Boiling Point 773.8 °C at 760 mmHg
Molecular Weight 468.55 Flash Point 421.8 °C
Transport Information N/A Appearance white, water-containing wet cake
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 80584-91-4 (2,4,6-Tri-(6-aminocaproic acid)-1,3,5-triazine) Hazard Symbols N/A
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;

 

2,4,6-Tri-(6-aminocaproic acid)-1,3,5-triazine 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.

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