3-Aminobenzo-6,7-Quinazoline-4-One supplier

Name
centazolone
EINECS
CAS No. 65793-50-2
Density 1.4 g/cm³
Solubility
Melting Point
Formula C₁₂H₉N₃O
Boiling Point 452.7 °C at 760 mmHg
Molecular Weight 211.24
Flash Point 227.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzo[g]quinazolin-4 (3H)-one, 3-amino-;3-Amino-6,7-benzquinazole-4-one;Benzo[g]quinazolin-4(3H)-one,3-amino-;Benzo(g)quinazolin-4(3H)-one, 3-amino-;Benzo[g]quinazolin-4[3H]-one, 3-amino-;Centazolone;3-Aminobenzo(g)quinazolin-4(3H)-one;Centzaolone;3-Aminobenzo[g]quinazolin-4[3H]-one;Compound 65/469;
PSA 60.91000
LogP 1.84470

3-Aminobenzo-6,7-Quinazoline-4-One Specification

The 3-Aminobenzo-6,7-Quinazoline-4-One, with the CAS registry number 65793-50-2, has the systematic name of 3-aminobenzo[g]quinazolin-4(3H)-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₂H₉N₃O.

The characteristics of 3-Aminobenzo-6,7-Quinazoline-4-One are as followings: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.66; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.32; (8)ACD/KOC (pH 7.4): 8.93; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.91 Å²; (13)Index of Refraction: 1.732; (14)Molar Refractivity: 59.97 cm³; (15)Molar Volume: 149.8 cm³; (16)Polarizability: 23.77×10^-24cm³; (17)Surface Tension: 61.7 dyne/cm; (18)Density: 1.4 g/cm³; (19)Flash Point: 227.6 °C; (20)Enthalpy of Vaporization: 71.2 kJ/mol; (21)Boiling Point: 452.7 °C at 760 mmHg; (22)Vapour Pressure: 2.19E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1c3c(\N=C/N1N)cc2ccccc2c3
(2)InChI: InChI=1/C12H9N3O/c13-15-7-14-11-6-9-4-2-1-3-8(9)5-10(11)12(15)16/h1-7H,13H2
(3)InChIKey: CZXUQBVMAUWSBX-UHFFFAOYAX

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD50	intraperitoneal	54mg/kg (54mg/kg)		Indian Journal of Experimental Biology. Vol. 15, Pg. 1125, 1977.
man	TDLo	oral	1143ug/kg (1.143mg/kg)	behavioral: somnolence (general depressed activity) behavioral: changes in motor activity (specific assay) gastrointestinal: nausea or vomiting	Indian Journal of Experimental Biology. Vol. 15, Pg. 1131, 1977.
monkey	LD50	oral	> 500mg/kg (500mg/kg)		Indian Journal of Experimental Biology. Vol. 15, Pg. 1125, 1977.
mouse	LD50	intraperitoneal	160mg/kg (160mg/kg)		Indian Journal of Experimental Biology. Vol. 15, Pg. 1125, 1977.
mouse	LD50	intravenous	60mg/kg (60mg/kg)		Indian Journal of Experimental Biology. Vol. 15, Pg. 1125, 1977.
mouse	LD50	oral	525mg/kg (525mg/kg)		Indian Journal of Experimental Biology. Vol. 15, Pg. 1125, 1977.
rat	LD50	intraperitoneal	266mg/kg (266mg/kg)		Indian Journal of Experimental Biology. Vol. 15, Pg. 1125, 1977.
rat	LD50	oral	540mg/kg (540mg/kg)		Indian Journal of Experimental Biology. Vol. 15, Pg. 1125, 1977.

Product Name

centazolone

3-Aminobenzo-6,7-Quinazoline-4-One Specification

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