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| CAS No.: | 154702-15-5 |
|---|---|
| Name: | DIETHYLHEXYL BUTAMIDO TRIAZONE |
| Molecular Structure: | |
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| Formula: | C44H59N7O5 |
| Molecular Weight: | 765.98 |
| Synonyms: | Benzoicacid, 4,4'-[[6-[[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]amino]-1,3,5-triazine-2,4-diyl]diimino]bis-,bis(2-ethylhexyl) ester (9CI);Diethylhexyl butamido triazone;Dioctylbutamidotriazone;Benzoic acid,4,4'-[[6-[[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]amino]-1,3,5-triazine-2,4-diyl]diimino]bis-,1,1'-bis(2-ethylhexyl) ester;Uvasorb HEB;Iscotrizinol [USAN]; |
| Density: | 1.152 g/cm3 |
| Boiling Point: | 241-893℃[at 101 325 Pa] |
| Solubility: | 5μg/L at 20℃ |
| PSA: | 156.46000 |
| LogP: | 10.98700 |
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Specification
The Iscotrizinol, with the CAS registry number 154702-15-5, is also known as Benzoic acid,4,4'-[[6-[[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]amino]-1,3,5-triazine-2,4-diyl]diimino]bis-,1,1'-bis(2-ethylhexyl) ester. This chemical's molecular formula is C44H59N7O5 and molecular weight is 765.98. What's more, its IUPAC name is 2-ethylhexyl 4-[[4-[4-(tert-butylcarbamoyl)anilino]-6-[4-(2-ethylhexoxycarbonyl)anilino]-1,3,5-triazin-2-yl]amino]benzoate. Its classification code is Sunscreen. It is an organic compound used in sunscreens to absorb UVA and UVB radiation. It is marketed as Uvasorb HEB by 3V Sigma.
Physical properties of Iscotrizinol are: (1)ACD/LogP: 12.55; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 12; (4)ACD/LogD (pH 7.4): 12; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 12; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 156.46 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 224.461 cm3; (15)Molar Volume: 664.775 cm3; (16)Polarizability: 88.983×10-24cm3; (17)Surface Tension: 48.995 dyne/cm; (18)Density: 1.152 g/cm3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)C(=O)NC(C)(C)C)NC4=CC=C(C=C4)C(=O)OCC(CC)CCCC
(2)InChI: InChI=1S/C44H59N7O5/c1-8-12-14-30(10-3)28-55-39(53)33-18-24-36(25-19-33)46-42-48-41(45-35-22-16-32(17-23-35)38(52)51-44(5,6)7)49-43(50-42)47-37-26-20-34(21-27-37)40(54)56-29-31(11-4)15-13-9-2/h16-27,30-31H,8-15,28-29H2,1-7H3,(H,51,52)(H3,45,46,47,48,49,50)
(3)InChIKey: OSCJHTSDLYVCQC-UHFFFAOYSA-N