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| CAS No.: | 208533-37-3 |
|---|---|
| Name: | 4-CHLOROQUINAZOLIN-6-AMINE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C8H6ClN3 |
| Molecular Weight: | 179.609 |
| Synonyms: | 4-CHLOROQUINAZOLIN-6-AMINE;4-chloroquinazolin-6-amine hydrochloride;4-Chloroquinazolin-6-ylamine;6-AMino-4-chloroquinazoline HCl |
| Density: | 1.445 g/cm3 |
| Boiling Point: | 370.4 °C at 760 mmHg |
| Flash Point: | 177.8 °C |
| PSA: | 51.80000 |
| LogP: | 3.24860 |
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- Total:27 Page 1 of 1 1
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Specification
This chemical is called 6-Quinazolinamine, 4-chloro-, and its systematic name is 4-Chloroquinazolin-6-amine. With the molecular formula of C8H6ClN3, its molecular weight is 179.61. The CAS registry number of this chemical is 208533-37-3.
Other characteristics of the 6-Quinazolinamine, 4-chloro- can be summarised as followings: (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): 0.4; (5)ACD/BCF (pH 5.5): 1.19; (6)ACD/BCF (pH 7.4): 1.19; (7)ACD/KOC (pH 5.5): 39.33; (8)ACD/KOC (pH 7.4): 39.33; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.8 Å2; (13)Index of Refraction: 1.726; (14)Molar Refractivity: 49.4 cm3; (15)Molar Volume: 124.2 cm3; (16)Polarizability: 19.58×10-24cm3; (17)Surface Tension: 71.3 dyne/cm; (18)Density: 1.445 g/cm3; (19)Flash Point: 177.8 °C; (20)Enthalpy of Vaporization: 61.73 kJ/mol; (21)Boiling Point: 370.4 °C at 760 mmHg; (22)Vapour Pressure: 1.11E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc2ncnc1ccc(N)cc12
2.InChI: InChI=1/C8H6ClN3/c9-8-6-3-5(10)1-2-7(6)11-4-12-8/h1-4H,10H2
3.InChIKey: SDVFALBSKMDWGJ-UHFFFAOYAC