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| CAS No.: | 90004-09-4 |
|---|---|
| Name: | 7-AMINO-4(1H)-QUINAZOLINONE |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C8H7N3O |
| Molecular Weight: | 161.163 |
| Synonyms: | 7-amino-1H-quinazolin-4-one;7-AMINO-4(1H)-QUINAZOLINONE;7-Amino-4-hydroxyquinonazoline; |
| Density: | 1.49 g/cm3 |
| Melting Point: | 315 °C |
| Boiling Point: | 392.9 °C at 760 mmHg |
| Flash Point: | 191.4 °C |
| PSA: | 72.03000 |
| LogP: | 1.49880 |
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- Total:24 Page 1 of 1 1
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Specification
The 7-Aminoquinazolin-4-ol, with the CAS registry number 90004-09-4, has the systematic name of 7-aminoquinazolin-4(1H)-one. It belongs to the product categories of Pharmacetical and API intermediates. And the molecular formula of the chemical is C8H7N3O.
The characteristics of 7-Aminoquinazolin-4-ol are as followings: (1)ACD/LogP: -0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 14.93; (6)ACD/KOC (pH 7.4): 14.95; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 35.91 Å2; (11)Index of Refraction: 1.734; (12)Molar Refractivity: 43.18 cm3; (13)Molar Volume: 107.7 cm3; (14)Polarizability: 17.12×10-24cm3; (15)Surface Tension: 65 dyne/cm; (16)Density: 1.49 g/cm3; (17)Flash Point: 191.4 °C; (18)Enthalpy of Vaporization: 64.28 kJ/mol; (19)Boiling Point: 392.9 °C at 760 mmHg; (20)Vapour Pressure: 2.21E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2\N=C/Nc1cc(ccc12)N
(2)InChI: InChI=1/C8H7N3O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,9H2,(H,10,11,12)
(3)InChIKey: WQXFFJUUIIGPRY-UHFFFAOYAR