Acetic acid, (3-(N-propylacetamido)-2,4,6-triiodophenyl)-
Basic information
- CAS
29193-34-8- Standard SMILES
CCCN(C(C)=O)c1c(I)cc(I)c(CC(=O)O)c1I- InChIKey
RZTIXZDVPRNYRH-UHFFFAOYSA-N- Molecular formula
- C13H14I3NO3
- Average molar mass
- 612.97 g/mol
- Monoisotopic mass
- 612.8108
Names & identifiers
- Preferred name
- Acetic acid, (3-(N-propylacetamido)-2,4,6-triiodophenyl)-
- IUPAC
- 2-[3-[acetyl(propyl)amino]-2,4,6-triiodophenyl]acetic acid
- English name
- [2,4,6-Triiodo-3-(N-propylacetylamino)phenyl]acetic acid
- Molecular formula
- C13H14I3NO3
- Molecular weight
- 612.97
Names & synonyms
BRN 300101929193-34-8ACETIC ACID, (3-(N-PROPYLACETAMIDO)-2,4,6-TRIIODOPHENYL)-(3-(N-Propylacetamido)-2,4,6-triiodophenyl)acetic acidDTXSID00183448RefChem:316192DTXCID10105939[2,4,6-Triiodo-3-(N-propylacetamido)phenyl]acetic acidBenzeneacetic acid, 3-(acetylpropylamino)-2,4,6-triiodo-[2,4,6-Triiodo-3-(N-propylacetylamino)phenyl]acetic acid
Database identifiers
- CAS
29193-34-8- PubChem CID
- 34499
- DTXSID
DTXSID00183448- Nikkaji
- J54.966E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Boiling point
- 611.2 · 611.2±55.0 °C(Predicted)
- Density
- 2.289 · 2.289±0.06 g/cm3(Predicted)
- pka
- 3.68 · 3.68±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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