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CAS No.: | 15018-66-3 |
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Name: | QUINAZOLIN-4-YLAMINE |
Article Data: | 31 |
Molecular Structure: | |
Formula: | C8H7N3 |
Molecular Weight: | 145.164 |
Synonyms: | Quinazoline,4-amino- (6CI,8CI);4-Aminoquinazoline;4-Quinazolineamine;NSC 288012; |
Density: | 1.292 g/cm3 |
Melting Point: | 274-275℃ |
Boiling Point: | 328.3 °C at 760 mmHg |
Flash Point: | 178.6 °C |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 51.80000 |
LogP: | 1.79320 |
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The 4-Quinazolinamine is an organic compound with the formula C8H7N3. The IUPAC name of this chemical is Quinazolin-4-amine. With the CAS registry number 15018-66-3, it is also named as Quinazoline, 4-amino-. The product's categories is Pyrimidine. Besides, its molecular weight is 145.16.
Physical properties about are: (1)ACD/LogP: 1.03; (2)ACD/LogD (pH 5.5): 0.34; (3)ACD/LogD (pH 7.4): 1.01; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 3.42; (6)ACD/KOC (pH 5.5): 17.47; (7)ACD/KOC (pH 7.4): 82.84; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 29.02 Å2; (11)Index of Refraction: 1.723; (12)Molar Refractivity: 44.51 cm3; (13)Molar Volume: 112.2 cm3; (14)Polarizability: 17.64×10-24 cm3; (15)Surface Tension: 70.4 dyne/cm; (16)Density: 1.292 g/cm3; (17)Flash Point: 178.6 °C; (18)Enthalpy of Vaporization: 57.07 kJ/mol; (19)Boiling Point: 328.3 °C at 760 mmHg; (20)Vapour Pressure: 0.000191 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H7N3/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H,(H2,9,10,11)
(2)InChIKey: DRYRBWIFRVMRPV-UHFFFAOYAT
(3)Std. InChI: InChI=1S/C8H7N3/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H,(H2,9,10,11)
(4)Std. InChIKey: DRYRBWIFRVMRPV-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 205mg/kg (205mg/kg) | Journal of Medicinal Chemistry. Vol. 33, Pg. 434, 1990. | |
mouse | LD50 | oral | 584mg/kg (584mg/kg) | Journal of Medicinal Chemistry. Vol. 33, Pg. 434, 1990. |