9,10-Anthracenedione,1-[(1-methylethyl)amino]- (27354-18-3)

The Solvent Red 169, with the CAS registry number 27354-18-3, is also known as 1-Isopropylamino-9,10-anthracenedione. It belongs to the product category of Solvent Dyestuff. Its EINECS registry number is 248-425-2. This chemical's molecular formula is C₁₇H₁₅NO₂ and molecular weight is 265.31. What's more, both its IUPAC name and systematic name are the same which is called 1-(Propan-2-ylamino)anthracene-9,10-dione. This chemical's classification code is Mutation Data.

Physical properties about Solvent Red 169 are: (1) ACD/LogP: 3.64; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.64; (4) ACD/LogD (pH 7.4): 3.64; (5) ACD/BCF (pH 5.5): 342.04; (6) ACD/BCF (pH 7.4): 343.87; (7) ACD/KOC (pH 5.5): 2263.72; (8) ACD/KOC (pH 7.4): 2275.89; (9) #H bond acceptors: 3; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 37.38 Å²; (13) Index of Refraction: 1.652; (14) Molar Refractivity: 77.5 cm³; (15) Molar Volume: 211.9 cm³; (16) Surface Tension: 55.9 dyne/cm; (17) Density: 1.251 g/cm³; (18) Flash Point: 183.4 °C; (19) Enthalpy of Vaporization: 73.27 kJ/mol; (20) Boiling Point: 470.2 °C at 760 mmHg; (21) Vapour Pressure: 5.16E-09 mmHg at 25 °C; (22) Melting Point: 187-189 °C.

Preparation of Solvent Red 169: this chemical is prepared by reaction of 1-Amino-anthraquinone with 2-Bromo-propane.



This reaction needs reagent NaOH, K₂CO₃, Tetrabutylammonium bromide and solvent Benzene at temperature of 70 ?C. The reaction time is 10 hours. The yield is 35 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c1ccccc1C(=O)c3c2cccc3NC(C)C
(2) InChI: InChI=1/C17H15NO2/c1-10(2)18-14-9-5-8-13-15(14)17(20)12-7-4-3-6-11(12)16(13)19/h3-10,18H,1-2H3
(3) InChIKey: ATIYVSUEHXWMKF-UHFFFAOYAM