Basic information
- CAS
22708-50-5- Standard SMILES
CCC(Cc1cccc(NC(=O)c2c(I)cc(I)c(N=CN(C)C)c2I)c1)C(=O)O.Cl- InChIKey
WRCVUKGOXHUTDZ-UHFFFAOYSA-N- Molecular formula
- C21H23ClI3N3O3
- Average molar mass
- 781.6 g/mol
- Monoisotopic mass
- 780.8562
Names & identifiers
- Preferred name
- Hydrocinnamic acid, m-(3-(((dimethylamino)methylene)amino)-2,4,6-triiodobenzamido)-alpha-ethyl-, monohydrochloride
- IUPAC
- 2-[[3-[[3-(dimethylaminomethylideneamino)-2,4,6-triiodobenzoyl]amino]phenyl]methyl]butanoic acid;hydrochloride
Names & synonyms
22708-50-5Hydrocinnamic acid, m-(3-(((dimethylamino)methylene)amino)-2,4,6-triiodobenzamido)-alpha-ethyl-, monohydrochlorideDTXSID701384755
Database identifiers
- CAS
22708-50-5- PubChem CID
- 64847
- DTXSID
DTXSID701384755
Properties
Computed structural properties
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 620
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…