Basic information
- CAS
24340-25-8- Standard SMILES
CCC(=O)N(CC)c1c(I)cc(I)c(OC(CC)C(=O)O)c1I- InChIKey
YOKNDPUQYBRNIH-UHFFFAOYSA-N- Molecular formula
- C15H18I3NO4
- Average molar mass
- 657.02 g/mol
- Monoisotopic mass
- 656.837
Names & identifiers
- Preferred name
- Butyric acid, 2-(3-(N-ethylpropionamido)-2,4,6-triiodophenoxy)-
- IUPAC
- 2-[3-[ethyl(propanoyl)amino]-2,4,6-triiodophenoxy]butanoic acid
- English name
- 2-[3-(N-Ethylpropionylamino)-2,4,6-triiodophenoxy]butyric acid
- Molecular formula
- C15H18I3NO4
- Molecular weight
- 657.02
Names & synonyms
24340-25-82-(3-(N-Ethylpropionamido)-2,4,6-triiodophenoxy)butyric acidBUTYRIC ACID, 2-(3-(N-ETHYLPROPIONAMIDO)-2,4,6-TRIIODOPHENOXY)-RefChem:331241DTXSID409471822-[3-(N-ethylpropanamido)-2,4,6-triiodophenoxy]butanoic acid2-{3-[Ethyl(propanoyl)amino]-2,4,6-triiodophenoxy}butanoic acid2-[3-(N-Ethylpropionylamino)-2,4,6-triiodophenoxy]butyric acidButanoic acid, 2-[3-[ethyl(1-oxopropyl)amino]-2,4,6-triiodophenoxy]-
Database identifiers
- CAS
24340-25-8- PubChem CID
- 32303
- DTXSID
DTXSID40947182- Nikkaji
- J67.373K
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 424
Physicochemical properties
- Boiling point
- 634.7 · 634.7±55.0 °C(Predicted)
- Density
- 2.127 · 2.127±0.06 g/cm3(Predicted)
- pka
- 2.89 · 2.89±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…