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| CAS No.: | 5725-91-7 |
|---|---|
| Name: | RESORUFIN ETHYL ETHER |
| Molecular Structure: | |
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| Formula: | C14H11NO3 |
| Molecular Weight: | 241.246 |
| Synonyms: | 7-Ethoxy-3H-phenoxazin-3-one;7-Ethoxyphenoxazin-3-one;7-Ethoxyphenoxazone;7-Ethoxyresorufin;O-Ethylresorufin;Resorufin ethyl ether; |
| Density: | 1.29 g/cm3 |
| Melting Point: | 223-225 °C(lit.) |
| Boiling Point: | 389.3 °C at 760 mmHg |
| Flash Point: | 185.9 °C |
| Solubility: | DMF: soluble |
| Appearance: | Red Solid |
| PSA: | 52.33000 |
| LogP: | 2.69150 |
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Specification
The 7-Ethoxyresorufin with its cas register number is 5725-91-7. It also can be called as 3H-Phenoxazin-3-one,7-ethoxy- and the IUPAC Name about this chemical is 7-ethoxyphenoxazin-3-one. It belongs to the following product categories, such as All Inhibitors, Inhibitors, Intermediates & Fine Chemicals, Pharmaceuticals and so on.
Physical properties about 7-Ethoxyresorufin are: (1)ACD/LogP: 2.02; (2)ACD/LogD (pH 5.5): 2.02; (3)ACD/LogD (pH 7.4): 2.02; (4)ACD/BCF (pH 5.5): 20.34; (5)ACD/BCF (pH 7.4): 20.34; (6)ACD/KOC (pH 5.5): 300.65; (7)ACD/KOC (pH 7.4): 300.67; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 47.89Å2; (11)Index of Refraction: 1.624; (12)Molar Refractivity: 65.91 cm3; (13)Molar Volume: 186.5 cm3; (14)Polarizability: 26.13x10-24cm3; (15)Surface Tension: 46.3 dyne/cm; (16)Enthalpy of Vaporization: 63.86 kJ/mol; (17)Vapour Pressure: 2.88E-06 mmHg at 25°C.
The 7-Ethoxyresorufin can be used as a fluorimetric substrate for cytochrome P450 IAI. This chemical can inhibits vasorelaxant responses to acetylcholine.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC1=CC2=C(C=C1)N=C3C=CC(=O)C=C3O2
(2)InChI: InChI=1S/C14H11NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h3-8H,2H2,1H3
(3)InChIKey: CRCWUBLTFGOMDD-UHFFFAOYSA-N