Basic information
- CAS
37934-63-7- Standard SMILES
CCCN(C(=O)CCC(=O)O)c1c(I)cc(I)c(N)c1I- InChIKey
QUYMIOUWUFOJEF-UHFFFAOYSA-N- Molecular formula
- C13H15I3N2O3
- Average molar mass
- 627.98 g/mol
- Monoisotopic mass
- 627.8217
Names & identifiers
- Preferred name
- Butanoic acid, 4-((3-amino-2,4,6-triiodophenyl)propylamino)-4-oxo-
- IUPAC
- 4-(3-amino-2,4,6-triiodo-N-propylanilino)-4-oxobutanoic acid
- English name
- 3-[[N-(3-Amino-2,4,6-triiodophenyl)-N-propylamino]carbonyl]propionic acid
- Molecular formula
- C13H15I3N2O3
- Molecular weight
- 627.98
Names & synonyms
37934-63-73'-Amino-N-propyl-2',4',6'-triiodosuccinanilic acidDTXSID80191369Butanoic acid, 4-((3-amino-2,4,6-triiodophenyl)propylamino)-4-oxo-N-Propyl-N-(2,4,6-trijod-3-aminophenyl)-succinamidsaeure [German]N-Propyl-N-(2,4,6-trijod-3-aminophenyl)-succinamidsaeureSuccinanilic acid, 3'-amino-N-propyl-2',4',6'-triiodo-RefChem:330829DTXCID40113860Butanoic acid, 4-((3-amino-2,4,6-triiodophenyl)propylamino)-4-oxo-(9CI)4-[(3-amino-2,4,6-triiodophenyl)(propyl)amino]-4-oxobutanoic acidButanoic acid, 4-((3-amino-2,4,6-triiodophenyl)propylamino)-4-oxo- (9CI)
Show more names
Butanoic acid, 4-[(3-amino-2,4,6-triiodophenyl)propylamino]-4-oxo-3-[[N-(3-Amino-2,4,6-triiodophenyl)-N-propylamino]carbonyl]propionic acid
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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