3-Amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid
Basic information
- CAS
90326-71-9- Standard SMILES
NC(CC(=O)O)c1cc(Br)c(O)c(Br)c1- InChIKey
KAWUBNUJMFOOOE-UHFFFAOYSA-N- Molecular formula
- C9H9Br2NO3
- Average molar mass
- 338.98 g/mol
- Monoisotopic mass
- 336.89492
Names & identifiers
- Preferred name
- 3-Amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid
- IUPAC
- 3-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid
- English name
- 3-Amino-3-(3,5-dibromo-4-hydroxy-phenyl)-propionic acid
- Molecular formula
- C9H9Br2NO3
- Molecular weight
- 338.98
Names & synonyms
90326-71-93-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acidDTXSID10397938RARECHEM AL BL 0226Benzenepropanoic acid, β-amino-3,5-dibromo-4-hydroxy-3-Amino-3-(3,5-dibromo-4-hydroxy-phenyl)-propionic acid
Database identifiers
- CAS
90326-71-9- PubChem CID
- 3916074
- DTXSID
DTXSID10397938
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 409.2 · 409.2±45.0 °C(Predicted)
- Density
- 2.01 · 2.010±0.06 g/cm3(Predicted)
- pka
- 3.59 · 3.59±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…