Basic information
- CAS
67032-31-9- Standard SMILES
CCCCCC(=O)Nc1c(I)c(NC(=O)CCCCC)c(I)c(C(=O)O)c1I- InChIKey
RRCCBBFPHXTAFB-UHFFFAOYSA-N- Molecular formula
- C19H25I3N2O4
- Average molar mass
- 726.1 g/mol
- Monoisotopic mass
- 725.8949
Names & identifiers
- Preferred name
- 3,5-Bis(hexanoylamino)-2,4,6-triiodobenzoic acid
- IUPAC
- 3,5-bis(hexanoylamino)-2,4,6-triiodobenzoic acid
- English name
- 3,5-Bis(hexanoylamino)-2,4,6-triiodobenzoic acid
- Molecular formula
- C19H25I3N2O4
- Molecular weight
- 726.13
Names & synonyms
67032-31-93,5-bis(hexanoylamino)-2,4,6-triiodobenzoic acid3,5-Dihexanamido-2,4,6-triiodobenzoic acidBENZOIC ACID, 3,5-DIHEXANAMIDO-2,4,6-TRIIODO-3,5-Dihexanamido-2,4,6-triiodo-benzoic AcidBRN 3494721starbld0005680DTXSID40217312NS000059262,4,6-Triiodo-3,5-bis[(1-oxohexyl)aMino]-benzoic AcidBenzoic acid, 2,4,6-triiodo-3,5-bis[(1-oxohexyl)amino]-
Database identifiers
- CAS
67032-31-9- PubChem CID
- 49015
- DTXSID
DTXSID40217312- Nikkaji
- J83.347I
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 497
Physicochemical properties
- Melting point
- 281 °C · >281°C (dec.)
- storage temp.
- Refrigerator
- solubility
- DMSO, Methanol
- form
- Solid
- color
- Light Brown
Chemistry & industry
Applications
Uses3,5-Dihexanamido-2,4,6-triiodo-benzoic Acid is a derivative of 3,5-Diamino-2,4,6-triiodobenzoic Acid (D416820); a metabolite of Diatrizoate with mutagenic and cytotoxic properties.
Suppliers2 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…