Cas no 15301-96-9 (Benzeneacetic acid,3,5-diiodo-4-(3-iodo-4-methoxyphenoxy)-, 2-(diethylamino)ethyl ester)
15301-96-9 structure
Product Name:Benzeneacetic acid,3,5-diiodo-4-(3-iodo-4-methoxyphenoxy)-, 2-(diethylamino)ethyl ester
CAS No:15301-96-9
MF:C21H24I3NO4
MW:735.132983207703
CID:145333
PubChem ID:27191
Update Time:2025-04-19
Benzeneacetic acid,3,5-diiodo-4-(3-iodo-4-methoxyphenoxy)-, 2-(diethylamino)ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,3,5-diiodo-4-(3-iodo-4-methoxyphenoxy)-, 2-(diethylamino)ethyl ester
- 2-(diethylamino)ethyl 2-[3,5-diiodo-4-(3-iodo-4-methoxyphenoxy)phenyl]acetate
- 2-(diethylamino)ethyl [3,5-diiodo-4-(3-iodo-4-methoxyphenoxy)phenyl]acetate
- Thyromedan
- 2-(DIETHYLAMINO)ETHYL (3,5-DIIODO-4-(3-IODO-4-METHOXYPHENOXY)PHENYL)ACETATE
- TYROMEDAN
- SKF 13364
- NS00120750
- UNII-9MU67I9K5I
- 15301-96-9
- 2-diethylaminoethyl2-[3,5-diiodo-4-(3-iodo-4-methoxyphenoxy)phenyl]acetate
- Q27272757
- CHEMBL2111061
- Benzeneacetic acid, 3,5-diiodo-4-(3-iodo-4-methoxyphenoxy)-, 2-(diethylamino)ethyl ester
- 9MU67I9K5I
- SKF 13364-A
- DTXSID10165199
- Tyromedan [INN]
-
- Inchi： 1S/C21H24I3NO4/c1-4-25(5-2)8-9-28-20(26)12-14-10-17(23)21(18(24)11-14)29-15-6-7-19(27-3)16(22)13-15/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3
- InChI Key： CNFICQVPDNZAHK-UHFFFAOYSA-N
- SMILES： IC1C(=C(C=C(C=1)CC(=O)OCCN(CC)CC)I)OC1C=CC(=C(C=1)I)OC
Computed Properties
- Exact Mass: 734.88262
- Monoisotopic Mass: 734.883937
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 29
- Rotatable Bond Count: 11
- Complexity: 483
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 48
- XLogP3: 5.9
Experimental Properties
- Density: 1.871
- Boiling Point: 597.5°Cat760mmHg
- Flash Point: 315.1°C
- Refractive Index: 1.636
- PSA: 48
Benzeneacetic acid,3,5-diiodo-4-(3-iodo-4-methoxyphenoxy)-, 2-(diethylamino)ethyl ester Related Literature
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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