104675-26-5

The 1(2H)-Acridinone, 9-amino-3, 4-dihydro-, with the CAS registry number 104675-26-5, is also known as 9-Amino-3, 4-dihydroacridin-1(2H)-one. This chemical's molecular formula is C₁₃H₁₂N₂O and molecular weight is 212.25. What's more, its systematic name is 9-Amino-3, 4-dihydro-2H-acridin-1-one. Besides, this chemical can be used as intermediate in the preparation of Mentane.

Physical properties about 1(2H)-Acridinone, 9-amino-3, 4-dihydro- are: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 2.73; (6)ACD/BCF (pH 7.4): 97.22; (7)ACD/KOC (pH 5.5): 19.5; (8)ACD/KOC (pH 7.4): 693.08; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.2 Å²; (13)Index of Refraction: 1.708; (14)Molar Refractivity: 63.33 cm³; (15)Molar Volume: 162.3 cm³; (16)Polarizability: 25.1×10^-24 cm³; (17)Surface Tension: 67.9 dyne/cm; (18)Density: 1.307 g/cm³; (19)Flash Point: 236.4 °C; (20)Enthalpy of Vaporization: 72.92 kJ/mol; (21)Boiling Point: 467.2 °C at 760 mmHg; (22)Vapour Pressure: 6.63E-09 mmHg at 25 °C.

Preparation of 1(2H)-Acridinone, 9-amino-3, 4-dihydro-: this chemical is prepared by 4, 5-Dihydro-3H-isoxazolo(5, 4, 3-kl)acridine by heating. The reaction needs reagent 1-Octene and catalyst 5 % Pd/C. The reaction time is 16 hours. The yield is about 59 %.

Uses of 1(2H)-Acridinone, 9-amino-3, 4-dihydro-: it is used to produce other chemicals. For example, it is used to produce (+/-)-9-Amino-1, 2, 3, 4-tetrahydroacridin-1-ol. The reaction needs reagent LiAlH₄. Meanwhile, it needs solvents Tetrahydrofuran and Diethyl ether. The reaction time is 2 hours. The yield is about 82 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c1c(c3c(nc1CCC2)cccc3)N
(2) InChI: InChI=1/C13H12N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5H,3,6-7H2,(H2,14,15)
(3) InChIKey: JUSJJSHTMCPMOX-UHFFFAOYAS