CAS No.478556-66-0,1-[9-Ethyl-6-(2-methylbenzoyl)-9H-carbazol-3-yl]ethanone 1-(O-acetyloxime) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	478556-66-0
Name:	1-[9-Ethyl-6-(2-methylbenzoyl)-9H-carbazol-3-yl]ethanone 1-(O-acetyloxime)
Article Data:	3

Formula:	C₂₆H₂₄N₂O₃
Molecular Weight:	412.488
Synonyms:	1-[({1-[9-Ethyl-6-(2-methylbenzoyl)-9H-carbazol-3-yl]ethylidene}amino)oxy]ethanone;
Density:	1.179 g/cm³
Boiling Point:	534.16 °C at 760 mmHg
Flash Point:	276.85 °C
PSA:	60.66000
LogP:	5.64090

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Specification

The Ethanone, 1-[9-ethyl-6-(2-methylbenzoyl)-9H-carbazol-3-yl]-,1-(O-acetyloxime), with the CAS registry number 478556-66-0, is also known as 1-[9-Ethyl-6-(2-methylbenzoyl)-9H-carbazol-3-yl]ethanone 1-(O-acetyloxime). It belongs to the classification code of TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. This chemical's molecular formula is C₂₆H₂₄N₂O₃ and molecular weight is 412.48. What's more, its systematic name is called 1-[({1-[9-Ethyl-6-(2-methylbenzoyl)-9H-carbazol-3-yl]ethylidene}amino)oxy]ethanone.

Physical properties about Ethanone, 1-[9-ethyl-6-(2-methylbenzoyl)-9H-carbazol-3-yl]-,1-(O-acetyloxime) are: (1)ACD/LogP: 5.584; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.58; (4)ACD/LogD (pH 7.4): 5.58; (5)ACD/BCF (pH 5.5): 10326.20; (6)ACD/BCF (pH 7.4): 10326.20; (7)ACD/KOC (pH 5.5): 25987.69; (8)ACD/KOC (pH 7.4): 25987.69; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 60.66 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 121.539 cm³; (15)Molar Volume: 349.85 cm³; (16)Polarizability: 48.182×10^-24cm³; (17)Surface Tension: 42.5169982910156 dyne/cm; (18)Density: 1.179 g/cm³; (19)Flash Point: 276.85 °C; (20)Enthalpy of Vaporization: 81.031 kJ/mol; (21)Boiling Point: 534.16 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCn1c2ccc(cc2c3c1ccc(c3)C(=O)c4ccccc4C)C(=NOC(=O)C)C
(2) InChI: InChI=1S/C26H24N2O3/c1-5-28-24-12-10-19(17(3)27-31-18(4)29)14-22(24)23-15-20(11-13-25(23)28)26(30)21-9-7-6-8-16(21)2/h6-15H,5H2,1-4H3
(3) InChIKey: SEEVRZDUPHZSOX-UHFFFAOYSA-N