2-AMINO-6-METHYL-4(3H)-QUINAZOLONE

The 4(3H)-Quinazolinone, 2-amino-6-methyl-, with the CAS registry number 50440-82-9, is also known as 2-Amino-6-methyl-3-hydroquinazolin-4-one. This chemical's molecular formula is C₉H₉N₃O and molecular weight is 175.19. What's more, its systematic name is 2-amino-6-methylquinazolin-4(3H)-one. It should be sealed and stored in a cool and dry place. Moreover, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.

Physical properties of 4(3H)-Quinazolinone, 2-amino-6-methyl- are: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): 1.06; (5)ACD/BCF (pH 5.5): 3.72; (6)ACD/BCF (pH 7.4): 3.76; (7)ACD/KOC (pH 5.5): 88.83; (8)ACD/KOC (pH 7.4): 89.87; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 35.91 Å²; (13)Index of Refraction: 1.701; (14)Molar Refractivity: 47.61 cm³; (15)Molar Volume: 123 cm³; (16)Polarizability: 18.87×10^-24cm³; (17)Surface Tension: 56.3 dyne/cm; (18)Density: 1.42 g/cm³; (19)Flash Point: 187.5 °C; (20)Enthalpy of Vaporization: 63.54 kJ/mol; (21)Boiling Point: 386.5 °C at 760 mmHg; (22)Vapour Pressure: 3.54E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2/N=C(\Nc1c2cc(cc1)C)N
(2)InChI: InChI=1S/C9H9N3O/c1-5-2-3-7-6(4-5)8(13)12-9(10)11-7/h2-4H,1H3,(H3,10,11,12,13)
(3)InChIKey: DJYDUJAKTAWKTN-UHFFFAOYSA-N