1,3-Diazabicyclo[3.1.0]hex-3-en-2-one,4-amino- (59643-91-3)

The Imexon, with cas registry number 59643-91-3, has the systematic name of 4-amino-1,3-diazabicyclo[3.1.0]hex-3-en-2-one. And its IUPAC name is the same one. Besides this, it is also called 1,3-diazabicyclo[3.1.0]hexan-2-one, 4-imino-. And this chemical should be stored at the temperature of 2-8°C.

Physical properties about this chemical are: (1)ACD/LogP: -2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.13; (4)ACD/LogD (pH 7.4): -2.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.52; (8)ACD/KOC (pH 7.4): 1.81; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 35.91 Å²; (13)Index of Refraction: 2.069; (14)Molar Refractivity: 25.65 cm³; (15)Molar Volume: 49 cm³; (16)Polarizability: 10.16×10^-24cm³; (17)Surface Tension: 130.3 dyne/cm; (18)Enthalpy of Vaporization: 46.83 kJ/mol; (19)Vapour Pressure: 0.0616 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/N=C(/N)C2N1C2
(2)InChI: InChI=1/C4H5N3O/c5-3-2-1-7(2)4(8)6-3/h2H,1H2,(H2,5,6,8)
(3)InChIKey: BIXBBIPTYBJTRY-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C4H5N3O/c5-3-2-1-7(2)4(8)6-3/h2H,1H2,(H2,5,6,8)
(5)Std. InChIKey: BIXBBIPTYBJTRY-UHFFFAOYSA-N