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4(3H)-Quinazolinone,5-amino-

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Name

4(3H)-Quinazolinone,5-amino-

EINECS N/A
CAS No. 135106-40-0 Density 1.49 g/cm3
PSA 72.03000 LogP 1.49880
Solubility N/A Melting Point N/A
Formula C8H7N3O Boiling Point 395.1 °C at 760 mmHg
Molecular Weight 161.163 Flash Point 192.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 135106-40-0 (5-AMINO-4(1H)-QUINAZOLINONE) Hazard Symbols N/A
Synonyms

5-Amino-3H-quinazolin-4-one;4(1H)-Quinazolinone,5-amino- (9CI);

Article Data 5

4(3H)-Quinazolinone,5-amino- Specification

The 4(3H)-Quinazolinone,5-amino- is an organic compound with the formula C8H7N3O. The systematic name of this chemical is 5-Aminoquinazolin-4(1H)-one. With the CAS registry number 135106-40-0, it is also named as 5-Amino-4-hydroxyquinazoline. Besides, its molecular weight is 161.16.

Physical properties about 4(3H)-Quinazolinone,5-amino- are: (1)ACD/LogP: -0.51; (2)ACD/LogD (pH 5.5): -0.51; (3)ACD/LogD (pH 7.4): -0.51; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.54; (7)ACD/KOC (pH 7.4): 12.54; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 35.91 Å2; (12)Index of Refraction: 1.734; (13)Molar Refractivity: 43.18 cm3; (14)Molar Volume: 107.7 cm3; (15)Polarizability: 17.12×10-24 cm3; (16)Surface Tension: 65 dyne/cm; (17)Density: 1.49 g/cm3; (18)Flash Point: 192.8 °C; (19)Enthalpy of Vaporization: 64.52 kJ/mol; (20)Boiling Point: 395.1 °C at 760 mmHg; (21)Vapour Pressure: 1.88E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H7N3O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4H,9H2,(H,10,11,12)
(2)InChIKey: XGZBESXYEGZKRH-UHFFFAOYAE
(3)Std. InChI: InChI=1S/C8H7N3O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4H,9H2,(H,10,11,12)
(4)Std. InChIKey: XGZBESXYEGZKRH-UHFFFAOYSA-N

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