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CAS No.: | 110216-87-0 |
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Name: | 4-AMINOQUINOLINE-2-ONE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C9H8N2O |
Molecular Weight: | 160.175 |
Synonyms: | 4-AMINOQUINOLINE-2-ONE;AURORA KA-3886;Zinc02550723;4-Amino-2(1H)-quinolinone;4-Aminoquinolin-2(1H)-one |
Density: | 1.254 g/cm3 |
Melting Point: | 315℃ |
Boiling Point: | 392.5 °C at 760 mmHg |
Flash Point: | 191.2 °C |
PSA: | 58.88000 |
LogP: | 1.69150 |
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This chemical is called 2(1H)-Quinolinone, 4-amino-, and its systematic name is 4-aminoquinolin-2(1H)-one. With the molecular formula of C9H8N2O, its molecular weight is 160.17. The CAS registry number of this chemical is 110216-87-0.
Other characteristics of the 2(1H)-Quinolinone, 4-amino- can be summarised as followings: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.59; (4)ACD/LogD (pH 7.4): 0.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.19; (8)ACD/KOC (pH 7.4): 1.2; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 45.05 cm3; (15)Molar Volume: 127.6 cm3; (16)Polarizability: 17.86×10-24cm3; (17)Surface Tension: 50 dyne/cm; (18)Density: 1.254 g/cm3; (19)Flash Point: 191.2 °C; (20)Enthalpy of Vaporization: 64.22 kJ/mol; (21)Boiling Point: 392.5 °C at 760 mmHg; (22)Vapour Pressure: 2.28E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C2/C=C(\c1c(cccc1)N2)N
2.InChI: InChI=1/C9H8N2O/c10-7-5-9(12)11-8-4-2-1-3-6(7)8/h1-5H,(H3,10,11,12)
3.InChIKey: UGZHBEHGSJQMGC-UHFFFAOYAI