Basic information
- CAS
19014-76-7- Standard SMILES
Nc1c(I)cc(I)c(CN(CC(=O)O)CC(=O)O)c1I- InChIKey
XTFIUEKLKYKPDV-UHFFFAOYSA-N- Molecular formula
- C11H11I3N2O4
- Average molar mass
- 615.93 g/mol
- Monoisotopic mass
- 615.7853
Names & identifiers
- Preferred name
- Acetic acid, ((3-amino-2,4,6-triiodobenzyl)imino)di-
- IUPAC
- 2-[(3-amino-2,4,6-triiodophenyl)methyl-(carboxymethyl)amino]acetic acid
Names & synonyms
BRN 3004169ACETIC ACID, ((3-AMINO-2,4,6-TRIIODOBENZYL)IMINO)DI-((3-Amino-2,4,6-triiodobenzyl)imino)diacetic acidN-(2,4,6-Triiodo-3-aminobenzyl)iminodiacetic acid19014-76-7DTXSID80172491RefChem:315932DTXCID60949822,2'-{[(3-Amino-2,4,6-triiodophenyl)methyl]azanediyl}diacetic acid
Database identifiers
- CAS
19014-76-7- PubChem CID
- 29388
- DTXSID
DTXSID80172491
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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