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| CAS No.: | 91300-60-6 |
|---|---|
| Name: | 6-ANILINO-5,8-QUINOLINEDIONE |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
|
| Formula: | C15H10N2O2 |
| Molecular Weight: | 250.257 |
| Synonyms: | 5,8-Dihydro-5,8-dioxo-6-(phenylamino)quinoline;6-Anilinoquinoline-5,8-quinone;Comr 2029;LY 83583; |
| Density: | 1.4 g/cm3 |
| Melting Point: | 184-185°C |
| Boiling Point: | 446.9 °C at 760 mmHg |
| Flash Point: | 224.1 °C |
| Solubility: | 0.1 M HCl: 1 mg/mL |
| Appearance: | solid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 40 |
| Safety: | 36/37 |
| PSA: | 59.06000 |
| LogP: | 2.52960 |
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- Total:30 Page 1 of 1 1
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Specification
The 5,8-Quinolinedione,6-(phenylamino)-, with CAS registry number 91300-60-6, belongs to the following product categories: (1)All Inhibitors; (2)Inhibitors; (3)Nitric Oxide Reagents. It has the systematic name of 6-(phenylamino)quinoline-5,8-dione. And its classification codes are Antineoplastic agents and Enzyme inhibitors.
Physical properties of 5,8-Quinolinedione,6-(phenylamino)-: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.56; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 8.99; (6)ACD/BCF (pH 7.4): 8.99; (7)ACD/KOC (pH 5.5): 167.57; (8)ACD/KOC (pH 7.4): 167.57; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 50.27 Å2; (13)Index of Refraction: 1.715; (14)Molar Refractivity: 70.21 cm3; (15)Molar Volume: 178.7 cm3; (16)Polarizability: 27.83×10-24cm3; (17)Surface Tension: 74.1 dyne/cm; (18)Enthalpy of Vaporization: 70.52 kJ/mol; (19)Vapour Pressure: 3.5E-08 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 5,8-Quinolinedione,6-(phenylamino)- has limited evidence of a carcinogenic effect. When use this chemical, wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C\2c1cccnc1C(=O)/C=C/2Nc3ccccc3
(2)InChI: InChI=1/C15H10N2O2/c18-13-9-12(17-10-5-2-1-3-6-10)15(19)11-7-4-8-16-14(11)13/h1-9,17H
(3)InChIKey: GXIJYWUWLNHKNW-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C15H10N2O2/c18-13-9-12(17-10-5-2-1-3-6-10)15(19)11-7-4-8-16-14(11)13/h1-9,17H
(5)Std. InChIKey: GXIJYWUWLNHKNW-UHFFFAOYSA-N