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CAS No.: | 20028-60-8 |
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Name: | 4-AMINO-6-CHLOROQUINOLINE |
Molecular Structure: | |
Formula: | C9H7ClN2 |
Molecular Weight: | 178.621 |
Synonyms: | Quinoline,4-amino-6-chloro- (6CI,8CI);4-Amino-6-chloroquinoline; |
Density: | 1.363 g/cm3 |
Boiling Point: | 366.8 °C at 760 mmHg |
Flash Point: | 175.7 °C |
PSA: | 38.91000 |
LogP: | 3.05160 |
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The CAS register number of 4-Quinolinamine,6-chloro- is 20028-60-8. It also can be called as 4-Amino-6-chloroquinolin and the systematic name about this chemical is 6-chloroquinolin-4-amine. The molecular formula about this chemical is C9H7ClN2 and the molecular weight is 178.62.
Physical properties about 4-Quinolinamine,6-chloro- are: (1)ACD/LogP: 2.28; (2)ACD/LogD (pH 5.5): -0.02; (3)ACD/LogD (pH 7.4): 1.41; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 4.33; (6)ACD/KOC (pH 5.5): 2.1; (7)ACD/KOC (pH 7.4): 56.46; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 16.13Å2; (12)Index of Refraction: 1.712; (13)Molar Refractivity: 51.31 cm3; (14)Molar Volume: 131 cm3; (15)Polarizability: 20.34x10-24cm3; (16)Surface Tension: 61.5 dyne/cm; (17)Flash Point: 175.7 °C; (18)Enthalpy of Vaporization: 61.33 kJ/mol; (19)Boiling Point: 366.8 °C at 760 mmHg; (20)Vapour Pressure: 1.42E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc2nccc(c2c1)N
(2)InChI: InChI=1/C9H7ClN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H,(H2,11,12)
(3)InChIKey: ANAOKPHXXDXCAL-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H7ClN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H,(H2,11,12)
(5)Std. InChIKey: ANAOKPHXXDXCAL-UHFFFAOYSA-N