Succinanilic acid, 5'-amino-2-ethyl-N-methyl-2',4',6'-triiodo-
Basic information
- CAS
37934-60-4- Standard SMILES
CCC(CC(=O)N(C)c1c(I)cc(I)c(N)c1I)C(=O)O- InChIKey
ZQORYUYYGJICDI-UHFFFAOYSA-N- Molecular formula
- C13H15I3N2O3
- Average molar mass
- 627.98 g/mol
- Monoisotopic mass
- 627.8217
Names & identifiers
- Preferred name
- Succinanilic acid, 5'-amino-2-ethyl-N-methyl-2',4',6'-triiodo-
- IUPAC
- 4-(3-amino-2,4,6-triiodo-N-methylanilino)-2-ethyl-4-oxobutanoic acid
Names & synonyms
5'-Amino-2-ethyl-N-methyl-2',4',6'-triiodosuccinanilic acid37934-60-4Succinanilic acid, 5'-amino-2-ethyl-N-methyl-2',4',6'-triiodo-Butanoic acid, 4-((3-amino-2,4,6-triiodophenyl)methylamino)-2-ethyl-4-oxo-RefChem:3823734-[(3-amino-2,4,6-triiodophenyl)(methyl)amino]-2-ethyl-4-oxobutanoic acidDTXSID30958949
Database identifiers
- CAS
37934-60-4- PubChem CID
- 216968
- DTXSID
DTXSID30958949
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 397
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Compound notes
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