2H-1-Benzazepin-2-one,3-amino-1,3,4,5-tetrahydro- (86499-35-6)

The 3-Amino-2,3,4,5-Tetrahydro-1H-1-benzazepin-2-one with the cas number 86499-35-6 is also called 2H-1-Benzazepin-2-one,3-amino-1,3,4,5-tetrahydro-. The IUPAC name is 3-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one. Its molecular formula is C₁₀H₁₂N₂O. The product category is pharmacetical.

The properties of the chemical are: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.2; (4)ACD/LogD (pH 7.4): 0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 27.23; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 50.07 cm³; (15)Molar Volume: 154.1 cm³; (16)Polarizability: 19.84×10^-24cm³; (17)Surface Tension: 42.6 dyne/cm; (18)Enthalpy of Vaporization: 62.53 kJ/mol; (19)Vapour Pressure: 6.71×10^-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2Nc1ccccc1CCC2N
(2)InChI: InChI=1/C10H12N2O/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6,11H2,(H,12,13)
(3)InChIKey: AUAKXRGQXZRTQC-UHFFFAOYAV