Succinanilic acid, 3'-amino-N,2(or 3)-dimethyl-2',4',6'-triiodo-
Basic information
- CAS
38358-07-5- Standard SMILES
CC(CC(=O)O)C(=O)N(C)c1c(I)cc(I)c(N)c1I- InChIKey
KULSOVKAOSUBCN-UHFFFAOYSA-N- Molecular formula
- C12H13I3N2O3
- Average molar mass
- 613.96 g/mol
- Monoisotopic mass
- 613.806
Names & identifiers
- Preferred name
- Succinanilic acid, 3'-amino-N,2(or 3)-dimethyl-2',4',6'-triiodo-
- IUPAC
- 4-(3-amino-2,4,6-triiodo-N-methylanilino)-3-methyl-4-oxobutanoic acid
Names & synonyms
RG 37638358-07-5Butanoic acid, 4-((3-amino-2,4,6-triiodophenyl)methylamino)-3-methyl-4-oxo-Succinanilic acid, 3'-amino-N,2(or 3)-dimethyl-2',4',6'-triiodo-N-Methyl-N-(2,4,6-trijod-3-aminophenyl)-methylsuccinamidsaeure [German]N-Methyl-N-(2,4,6-trijod-3-aminophenyl)-methylsuccinamidsaeureRefChem:3823684-[(3-amino-2,4,6-triiodophenyl)(methyl)amino]-3-methyl-4-oxobutanoic acidDTXSID20959288
Database identifiers
- CAS
38358-07-5- PubChem CID
- 217265
- DTXSID
DTXSID20959288
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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