Benzoic acid, 4-((bis(2-hydroxyethyl)amino)carbonyl)-2,3,5,6-tetraiodo-
4-[bis(2-hydroxyethyl)carbamoyl]-2,3,5,6-tetraiodobenzoic acid
Also Known As: Benzoic acid, 4-((bis(2-hydroxyethyl)amino)carbonyl)-2,3,5,6-tetraiodo-|4-[bis(2-hydroxyethyl)carbamoyl]-2,3,5,6-tetraiodobenzoic acid|Terephthalamic acid, N,N-bis(2-hydroxyethyl)-2,3,5,6-tetraiodo-|4-((Bis(2-hydroxyethyl)amino)carbonyl)-2,3,5,6-tetraiodobenzoic acid|Tetrajodterephthalsaure-mono-(N,N-bis-beta-hydroxyaethyl-amid)|Tetrajodterephthalsaure-mono-(N,N-bis-beta-hydroxyaethyl-amid) [German]
CAS: 3944-13-6
| Molecular Formula | C12H11I4NO5 |
|---|---|
| Molecular Weight | 756.6816 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 756.6816 |
| Monoisotopic Mass | 756.6816 |
| Heavy Atoms | 22 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 3944-13-6 |
|---|---|
| SMILES | C(CO)N(CCO)C(=O)C1=C(C(=C(C(=C1I)I)C(=O)O)I)I |
| InChIKey | NKQSWOUDXBMAJU-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-((bis(2-hydroxyethyl)amino)carbonyl)-2,3,5,6-tetraiodo- (CAS 3944-13-6), with molecular formula C12H11I4NO5 and molecular weight 756.6816 g/mol. IUPAC: 4-[bis(2-hydroxyethyl)carbamoyl]-2,3,5,6-tetraiodobenzoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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