The Solvent Red 3, with the CAS registry number 6535-42-8, is also known as 4-[(4-Ethoxyphenyl)diazenyl]-1-naphthol. It belongs to the product categories of Organics;Solvent Dyestuff. Its EINECS registry number is 229-439-8. This chemical's molecular formula is C18H16N2O2 and molecular weight is 292.33. What's more, its IUPAC name is called 4-[(4-Ethoxyphenyl)hydrazinylidene]naphthalen-1-one.
Physical properties about Solvent Red 3 are: (1)ACD/LogP: 4.821; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.82; (4)ACD/LogD (pH 7.4): 4.78; (5)ACD/BCF (pH 5.5): 2713.11; (6)ACD/BCF (pH 7.4): 2463.21; (7)ACD/KOC (pH 5.5): 9979.56; (8)ACD/KOC (pH 7.4): 9060.35; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 54.18 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 86.018 cm3; (15)Molar Volume: 249.149 cm3; (16)Polarizability: 34.1×10-24cm3; (17)Surface Tension: 44.026 dyne/cm; (18)Density: 1.173 g/cm3; (19)Flash Point: 262.516 °C; (20)Enthalpy of Vaporization: 81.075 kJ/mol; (21)Boiling Point: 510.458 °C at 760 mmHg; (22) Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOc1ccc(cc1)N=Nc3ccc(O)c2ccccc23
(2) InChI: InChI=1S/C18H16N2O2/c1-2-22-14-9-7-13(8-10-14)19-20-17-11-12-18(21)16-6-4-3-5-15(16)17/h3-12,21H,2H2,1H3
(3) InChIKey: JSEYDVLGSMLKDL-UHFFFAOYSA-N
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