3-Amino-3-(2,6-dimethoxyphenyl)propanoic acid
Basic information
- CAS
282524-76-9- Standard SMILES
COc1cccc(OC)c1C(N)CC(=O)O- InChIKey
GTLCCFJRSKMVDC-UHFFFAOYSA-N- Molecular formula
- C11H15NO4
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.10010796
Names & identifiers
- Preferred name
- 3-Amino-3-(2,6-dimethoxyphenyl)propanoic acid
- IUPAC
- 3-amino-3-(2,6-dimethoxyphenyl)propanoic acid
- English name
- 3-Amino-3-(2,6-dimethoxy-phenyl)-propionic acid
- Molecular formula
- C11H15NO4
- Molecular weight
- 225.24
Names & synonyms
3-amino-3-(2,6-dimethoxyphenyl)propanoic acid282524-76-93-AMINO-3-(2,6-DIMETHOXY-PHENYL)-PROPIONIC ACIDDTXSID10702048EN300-1826187RARECHEM AK HC T334Benzenepropanoic acid, β-amino-2,6-dimethoxy-
Database identifiers
- CAS
282524-76-9- PubChem CID
- 53439628
- DTXSID
DTXSID10702048
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 413.6 · 413.6±45.0 °C(Predicted)
- Density
- 1.212 · 1.212±0.06 g/cm3(Predicted)
- pka
- 3.83 · 3.83±0.12(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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