5,8-Quinolinedione,6-(phenylamino)- supplier

Name
6-ANILINO-5,8-QUINOLINEDIONE
EINECS
CAS No. 91300-60-6
Article Data4
CAS DataBase
Density 1.4 g/cm³
Solubility 0.1 M HCl: 1 mg/mL
Melting Point 184-185°C
Formula C₁₅H₁₀N₂O₂
Boiling Point 446.9 °C at 760 mmHg
Molecular Weight 250.257
Flash Point 224.1 °C
Transport Information
Appearance solid
Safety 36/37
Risk Codes 40
Molecular Structure
Hazard Symbols Xn
Synonyms 5,8-Dihydro-5,8-dioxo-6-(phenylamino)quinoline;6-Anilinoquinoline-5,8-quinone;Comr 2029;LY 83583;
PSA 59.06000
LogP 2.52960

5,8-Quinolinedione,6-(phenylamino)- 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

Product Name

6-ANILINO-5,8-QUINOLINEDIONE

5,8-Quinolinedione,6-(phenylamino)- Specification

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