The Solvent Red 25, with the CAS registry number 3176-79-2, is also known as Sudan Red B. It belongs to the product categories of Organics;Solvent Dyestuff. Its EINECS registry number is 221-647-7. This chemical's molecular formula is C24H20N4O and molecular weight is 380.44. What's more, its IUPAC name is called 1-[[3-Methyl-4-[(3-methylphenyl)diazenyl]phenyl]hydrazinylidene] naphthalen-2-one.
Physical properties about Solvent Red 25 are: (1)ACD/LogP: 6.657; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.66; (4)ACD/LogD (pH 7.4): 6.66; (5)ACD/BCF (pH 5.5): 67530.76; (6)ACD/BCF (pH 7.4): 67530.69; (7)ACD/KOC (pH 5.5): 99663.93; (8)ACD/KOC (pH 7.4): 99663.82; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 69.67 Å2; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 115.658 cm3; (15)Molar Volume: 319.052 cm3; (16)Polarizability: 45.85×10-24cm3; (17)Surface Tension: 46.131 dyne/cm; (18)Density: 1.192 g/cm3; (19)Flash Point: 424.365 °C; (20)Enthalpy of Vaporization: 95.104 kJ/mol; (21)Boiling Point: 618.845 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc4ccccc4N=Nc3ccc(N=Nc1c2ccccc2ccc1O)c(C)c3
(2) InChI: InChI=1S/C24H20N4O/c1-16-7-3-6-10-21(16)26-25-19-12-13-22(17(2)15-19)27-28-24-20-9-5-4-8-18(20)11-14-23(24)29/h3-15,29H,1-2H3
(3) InChIKey: RCTGMCJBQGBLKT-UHFFFAOYSA-N
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