4(3H)-Quinazolinone,6-amino- (17329-31-6)

The 6-Amino-3H-quinazolin-4-one, with cas registry number 17329-31-6, belongs to the following product categories: (1)pharmacetical; (2)API intermediates. It has the systematic name of 6-aminoquinazolin-4(1H)-one. And its IUPAC name is 6-amino-1H-quinazolin-4-one.

Physical properties about this chemical are: (1)ACD/LogP: -0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 12.28; (6)ACD/KOC (pH 7.4): 12.54; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 35.91 Å²; (11)Index of Refraction: 1.734; (12)Molar Refractivity: 43.18 cm³; (13)Molar Volume: 107.7 cm³; (14)Polarizability: 17.12×10^-24cm³; (15)Surface Tension: 65 dyne/cm; (16)Enthalpy of Vaporization: 67.51 kJ/mol; (17)Vapour Pressure: 2.67E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2\N=C/Nc1ccc(N)cc12
(2)InChI: InChI=1/C8H7N3O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,9H2,(H,10,11,12)
(3)InChIKey: MAIZCACENPZNCN-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H7N3O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,9H2,(H,10,11,12)
(5)Std. InChIKey: MAIZCACENPZNCN-UHFFFAOYSA-N