| Identification | |
| Name: | Ethyl 2-(acetylamino)-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoate |
| Synonyms: | 3,5-Diiodo-4-(p-methoxyphenoxy)-N-acetyl-L-phenylalanineethyl ester;NSC 97077;tyrosine, N-acetyl-3,5-diiodo-O-(4-methoxyphenyl)-, ethyl ester;Ethyl N-acetyl-3,5-diiodo-O-(4-methoxyphenyl)tyrosinate; |
| CAS: | 83249-56-3 |
| Molecular Formula: | C20H21I2NO5 |
| Molecular Weight: | 609.19 |
| InChI: | InChI=1/C20H21I2NO5/c1-4-27-20(25)18(23-12(2)24)11-13-9-16(21)19(17(22)10-13)28-15-7-5-14(26-3)6-8-15/h5-10,18H,4,11H2,1-3H3,(H,23,24) |
| Molecular Structure: |  |
| Properties | |
| Flash Point: | 321.5°C |
| Boiling Point: | 608°Cat760mmHg |
| Density: | 1.724g/cm3 |
| Refractive index: | 1.614 |
| Specification: |
The Ethyl 2-(acetylamino)-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoate with the cas number 83249-56-3, is also called Ethyl N-acetyl-3,5-diiodo-O-(4-methoxyphenyl)tyrosinate.The properties of the chemical are: (1)ACD/LogP: 4.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.55; (4)ACD/LogD (pH 7.4): 4.55; (5)ACD/BCF (pH 5.5): 1686.32; (6)ACD/BCF (pH 7.4): 1686.32; (7)ACD/KOC (pH 5.5): 7102.99; (8)ACD/KOC (pH 7.4): 7103; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 65.07 Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 123.26 cm3; (15)Molar Volume: 353.3 cm3; (16)Polarizability: 48.86×10-24cm3; (17)Surface Tension: 49.4 dyne/cm; (18)Enthalpy of Vaporization: 90.34 kJ/mol; (19)Vapour Pressure: 9.97×10-15 mmHg at 25°C. You can still convert the following datas into molecular structure: |
| Flash Point: | 321.5°C |
| Safety Data | |
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