Basic information
- CAS
1213097-30-3- Standard SMILES
COc1cc(CC#N)cc([C@@H](N)CO)c1O- InChIKey
LCSYVQNFERJDMU-VIFPVBQESA-N- Molecular formula
- C11H14N2O3
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.10044231
Names & identifiers
- Preferred name
- 3-[(1R)-1-Amino-2-hydroxyethyl]-4-hydroxy-5-methoxybenzeneacetonitrile
- IUPAC
- 2-[3-[(1R)-1-amino-2-hydroxyethyl]-4-hydroxy-5-methoxyphenyl]acetonitrile
Names & synonyms
DTXSID801154864AKOS015928873{3-[(1R)-1-Amino-2-hydroxyethyl]-4-hydroxy-5-methoxyphenyl}acetonitrile3-[(1R)-1-Amino-2-hydroxyethyl]-4-hydroxy-5-methoxybenzeneacetonitrile1213097-30-3
Database identifiers
- CAS
1213097-30-3- PubChem CID
- 66514366
- DTXSID
DTXSID801154864
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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