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Name
Antioxidant 5057
- EINECS 270-128-1
- CAS No. 68411-46-1
- Density 1.01 Mg/m3
- Solubility 4μg/L at 20℃
- Melting Point 95°C
- Formula C20H27N
- Boiling Point 302 °C at 760 mmHg
- Molecular Weight 361.5628
- Flash Point 152.8 °C
- Transport Information
- Appearance Off-white Solid
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Irganox 5057;
- PSA 12.03000
- LogP 6.50190
Antioxidant 5057 Specification
The Antioxidant 5057 with the cas number 68411-46-1 is also called AntioxidantAntioxidant 5057. The IUPAC name is N-phenylaniline; 2,4,4-trimethylpent-1-ene. Its EINECS registry number is 270-128-1. The molecular formula is C20H27N. Its product category is UVCBs-organic.
The properties of the chemical are: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 106.33; (6)ACD/BCF (pH 7.4): 106.33; (7)ACD/KOC (pH 5.5): 982.4; (8)ACD/KOC (pH 7.4): 982.42; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2 ; (13)Enthalpy of Vaporization: 54.22 kJ/mol ; (14)Vapour Pressure: 0.00102 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c2c(Nc1ccccc1)cccc2.C=C(/C)CC(C)(C)C
(2)InChI: InChI=1/C12H11N.C8H16/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(2)6-8(3,4)5/h1-10,13H;1,6H2,2-5H3
(3)InChIKey: NRBLRTXFXBXILY-UHFFFAOYAN
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