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Basic information
- CAS
13013-78-0- Standard SMILES
CNC(=O)c1c(I)c(NC(=O)c2ccc(C(=O)Nc3c(I)c(C(=O)O)c(I)c(C(=O)NC)c3I)cc2)c(I)c(C(=O)O)c1I- InChIKey
DMBFAHBQOUZNMT-UHFFFAOYSA-N- Molecular formula
- C26H16I6N4O8
- Average molar mass
- 1,273.858 g/mol
- Monoisotopic mass
- 1,273.52365147
Names & identifiers
- Preferred name
- Isophthalamic acid, 5,5'-(1,4-phenylenebis(carbonylimino))bis(N-methyl-2,4,6-triiodo-
- IUPAC
- 3,3'-[1,4-Phenylenebis(carbonylazanediyl)]bis[2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid]
- English name
- 3-[[4-[[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]carbamoyl]benzoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
- Molecular formula
- C26H16I6N4O8
- Molecular weight
- 1273.85
Names & synonyms
5,5'-(Terephthaloyldiimino)bis[2,4,6-triiodo-N-methylisophthalamic acid]Isophthalamic acid, 5,5'-(terephthaloyldiimino)bis[2,4,6-triiodo-N-methyl- (7CI,8CI)3-[[4-[[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]carbamoyl]benzoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
Database identifiers
- CAS
13013-78-0- PubChem CID
- 25606
- DTXSID
DTXSID50156364- Nikkaji
- J48.710D
Properties
Physicochemical properties
- Melting point
- 316 · 316-320 °C
- Boiling point
- 740 · 740.0±60.0 °C(Predicted)
- Density
- 2.624 · 2.624±0.06 g/cm3(Predicted)
- pka
- 0.5 · 0.50±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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