Butyric acid, 2-(3-amino-2,4,6-triiodophenyl)-
Basic information
- CAS
21762-25-4- Standard SMILES
CCC(C(=O)O)c1c(I)cc(I)c(N)c1I- InChIKey
SHDHSGPFZOKKBX-UHFFFAOYSA-N- Molecular formula
- C10H10I3NO2
- Average molar mass
- 556.9 g/mol
- Monoisotopic mass
- 556.7846
Names & identifiers
- Preferred name
- Butyric acid, 2-(3-amino-2,4,6-triiodophenyl)-
- IUPAC
- 2-(3-amino-2,4,6-triiodophenyl)butanoic acid
- English name
- 2-(3-Amino-2,4,6-triiodophenyl)butyric acid
- Molecular formula
- C10H10I3NO2
- Molecular weight
- 556.91
Names & synonyms
21762-25-4BUTYRIC ACID, 2-(3-AMINO-2,4,6-TRIIODOPHENYL)-RefChem:10804562-(3-Amino-2,4,6-triiodophenyl)butyric acid2-(3-amino-2,4,6-triiodophenyl)butanoic acidBRN 3034938DTXSID60944375Benzeneacetic acid, 3-amino-α-ethyl-2,4,6-triiodo-
Database identifiers
- CAS
21762-25-4- PubChem CID
- 30790
- DTXSID
DTXSID60944375- Nikkaji
- J42.775F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Melting point
- 166 · 166-167 °C
- Boiling point
- 525 · 525.0±50.0 °C(Predicted)
- Density
- 2.541 · 2.541±0.06 g/cm3(Predicted)
- pka
- 3.78 · 3.78±0.19(Predicted)
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Related reactions
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Compound notes
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