Iscotrizinol supplier | CasNO.154702-15-5

Name
DIETHYLHEXYL BUTAMIDO TRIAZONE
EINECS
CAS No. 154702-15-5
Density 1.152 g/cm³
Solubility 5μg/L at 20℃
Melting Point
Formula C₄₄H₅₉N₇O₅
Boiling Point 241-893℃[at 101 325 Pa]
Molecular Weight 765.98
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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];
PSA 156.46000
LogP 10.98700

Iscotrizinol 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

Product Name

DIETHYLHEXYL BUTAMIDO TRIAZONE

Iscotrizinol Specification

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