Basic information
- CAS
1206-91-3- Standard SMILES
Nc1c(I)cc(I)c(CCC(=O)O)c1I- InChIKey
BVDHMFVGWNGIQE-UHFFFAOYSA-N- Molecular formula
- C9H8I3NO2
- Average molar mass
- 542.88 g/mol
- Monoisotopic mass
- 542.7689
Names & identifiers
- Preferred name
- 3-Amino-2,4,6-triiodobenzenepropanoic acid
- IUPAC
- 3-(3-amino-2,4,6-triiodophenyl)propanoic acid
- English name
- 3-(3-Amino-2,4,6-triiodophenyl)propionic acid
- Molecular formula
- C9H8I3NO2
- Molecular weight
- 542.88
Names & synonyms
1206-91-3HYDROCINNAMIC ACID, 3-AMINO-2,4,6-TRIIODO-DTXSID10152928RefChem:1067289DTXCID80754193-Amino-2,4,6-triiodobenzenepropanoic acid3-(3-amino-2,4,6-triiodophenyl)propanoic acid3-(3-AMINO-2,4,6-TRIIODOPHENYL)PROPIONIC ACIDBenzenepropanoic acid,3-amino-2,4,6-triiodo-3-Amino-2,4,6-triiodohydrocinnamic acidWIN 4837BRN 2133556
Show more names
3-amino-2,4,6-triiodo-hydrocinnamic aci3-amino-2,4,6-triiodo-benzenepropanoic aci3-(3-azanyl-2,4,6-triiodo-phenyl)propanoic acid
Benzenepropanoic acid, 3-amino-2,4,6-triiodo-beta-(2,4,6-Trijod-3-aminophenyl)-propionsaeure [German]beta-(2,4,6-Trijod-3-aminophenyl)-propionsaeure4-14-00-01531 (Beilstein Handbook Reference)CHEMBL48447SCHEMBL9696076NS00023928Beta-(3-Amino-2,4,6-triiodophenyl)propionic acid
Database identifiers
- CAS
1206-91-3- PubChem CID
- 14575
- DTXSID
DTXSID10152928
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 233 °C · 233 °C
- Boiling point
- 522.9 · 522.9±50.0 °C(Predicted)
- Density
- 2.689 · 2.689±0.06 g/cm3(Predicted)
- pka
- 4.55 · 4.55±0.13(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
杭州凯邦生物科技有限公司0571-88937695 88937835 13606537248 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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