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| CAS No.: | 101421-72-1 |
|---|---|
| Name: | 6-Quinazolinamine (9CI) |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C8H7N3 |
| Molecular Weight: | 145.164 |
| Synonyms: | Quinazoline,6-amino- (6CI);6-Aminoquinazoline;Quinazolin-6-ylamine;Quinazolin-6-amine; |
| Density: | 1.292 g/cm3 |
| Melting Point: | 213.5-214 °C (sublm) |
| Boiling Point: | 335.9 °C at 760 mmHg |
| Flash Point: | 183.5 °C |
| PSA: | 51.80000 |
| LogP: | 1.79320 |
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- Total:24 Page 1 of 1 1
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Specification
The 6-Quinazolinamine, with the CAS registry number 101421-72-1, is also known as 6-Aminoquinazoline. This chemical's molecular formula is C8H7N3 and molecular weight is 145.16. What's more, its systematic name is Quinazolin-6-amine and it belongs to the product category of Pyrimidine.
Physical properties of 6-Quinazolinamine are: (1)ACD/LogP: -0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.4; (4)ACD/LogD (pH 7.4): -0.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.3; (8)ACD/KOC (pH 7.4): 14.53; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.723; (14)Molar Refractivity: 44.51 cm3; (15)Molar Volume: 112.2 cm3; (16)Polarizability: 17.64×10-24 cm3; (17)Surface Tension: 70.4 dyne/cm; (18)Density: 1.292 g/cm3; (19)Flash Point: 183.5 °C; (20)Enthalpy of Vaporization: 57.9 kJ/mol; (21)Boiling Point: 335.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000116 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n2c1c(cc(cc1)N)cnc2CopyCopied
(2)InChI: InChI=1S/C8H7N3/c9-7-1-2-8-6(3-7)4-10-5-11-8/h1-5H,9H2
(3)InChIKey: XFGPXURFKAUHQR-UHFFFAOYSA-N