3-[[(dimethylamino)methylene]amino]-3-(2,4,6-triiodophenyl)propionic acid (CAS 5587-89-3) — formula C12H13I3N2O2, molecular weight 597.96; category organic chemicals.
| CAS Number | 5587-89-3 |
|---|---|
| Molecular Formula | C12H13I3N2O2 |
| Molecular Weight | 597.96 |
| Melting Point | 168-169ºC |
| Boiling Point | 579.8ºC at 760 mmHg |
| LogP | 3.73 |
| Category | Organic Chemicals |
3-[[(dimethylamino)methylene]amino]-3-(2,4,6-triiodophenyl)propionic acid is a carbon-based organic compound with CAS registry number 5587-89-3 and molecular formula C12H13I3N2O2 (molecular weight 597.96), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5587-89-3
Its molecular formula C12H13I3N2O2 comprises 12 C, 13 H, 3 I, 2 N, 2 O atoms.
Also known as: 3-[[(dimethylamino)methylene]amino]-3-(2,4,6-triiodophenyl)propionic acid · 3-(3-(((二甲基氨基)亚甲基)氨基)-2,4,6-三碘苯基)丙酸
Category: organic chemicals
The CAS registry number of 3-[[(dimethylamino)methylene]amino]-3-(2,4,6-triiodophenyl)propionic acid is 5587-89-3.
Molecular formula C12H13I3N2O2, molecular weight 597.96.
It is also registered under: 3-[[(dimethylamino)methylene]amino]-3-(2,4,6-triiodophenyl)propionic acid, 3-(3-(((二甲基氨基)亚甲基)氨基)-2,4,6-三碘苯基)丙酸.
Category: Organic Chemicals.
Independent reference data for 3-[[(dimethylamino)methylene]amino]-3-(2,4,6-triiodophenyl)propionic acid (CAS 5587-89-3), compiled from public chemistry databases.
| CAS 号 | 5587-89-3 |
|---|---|
| PubChem CID | 5241 |
| 分子式 | C12H13I3N2O2 |
| IUPAC 名称 | 3-[3-(dimethylaminomethylideneamino)-2,4,6-triiodophenyl]propanoic acid |
| UNII（FDA） | F604ZKI910 |
| Molecular Weight | 597.96 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 597.8111 |
| Monoisotopic Mass | 597.8111 |
| Topological Polar Surface Area | 52.9 |
| Heavy Atom Count | 19 |
| Boiling Point | 579.8ºC at 760 mmHg |
|---|---|
| Melting Point | 168-169ºC |
| Melting Point | 168-169 °C |
| LogP | 3.73 |
| Dissociation Constants | 4.8 |
Iopodic acid; IPODATE; Ipodic acid; 5587-89-3; Bilopten; Oragrafin; F604ZKI910; 3-(3-Dimethylaminomethyleneamino-2,4,6-triiodophenyl)propionic acid; beta-(3-(Dimethylaminomethyleneamino)-2,4,6-triiodophenyl)propionic acid; DTXSID0023167; Hydrocinnamic acid, 3-(((dimethylamino)methylene)amino)-2,4,6-triiodo-; 3-(3-{[(dimethylamino)methylidene]amino}-2,4,6-triiodophenyl)propanoic acid; Solu Biloptin; Ipodate, Sodium; Iopodate, Sodium; Ipodate, Calcium
| 已通报的危害声明 | H318 (100%) |
|---|
3-(3-(((二甲基氨基)亚甲基)氨基)-2,4,6-三碘苯基)丙酸 · CAS 5587-89-3 · C12H13I3N2O2. UNII F604ZKI910. Boiling Point: 579.8ºC at 760 mmHg; Melting Point: 168-169ºC; Melting Point: 168-169 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.