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80584-91-4

Basic Information
CAS No.: 80584-91-4
Name: Hexanoic acid,6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris-
Molecular Structure:
Molecular Structure of 80584-91-4 (Hexanoic acid,6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris-)
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: N/A
Appearance: white, water-containing wet cake
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 186.66000
LogP: 3.26130
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    Product name: 2,4,6-Tri-(6-Aminocaproic Acid)-1,3,5-Triazine CAS No.:80584-91-4 Molecule Formula:C21H36N6O6 Molecule Weight:468.55 Purity: 99.0% Package: 25kg/drum Description:White powder Manufacture Standards:Enterprise Standard

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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.