1,2-Benzenediol, 4-[2-(diethylamino)ethyl]-
Basic information
- CAS
53622-71-2- Standard SMILES
CCN(CC)CCc1ccc(O)c(O)c1- InChIKey
WMOMDEWQHQSBEU-UHFFFAOYSA-N- Molecular formula
- C12H19NO2
- Average molar mass
- 209.28 g/mol
- Monoisotopic mass
- 209.14157885
Names & identifiers
- Preferred name
- 1,2-Benzenediol, 4-[2-(diethylamino)ethyl]-
- IUPAC
- 4-[2-(diethylamino)ethyl]benzene-1,2-diol
Names & synonyms
53622-71-24-[2-(diethylamino)ethyl]benzene-1,2-diol1,2-Benzenediol, 4-[2-(diethylamino)ethyl]-N,N-diethyl-dopamineCHEMBL3245335SCHEMBL23309922SCHEMBL31366413DTXSID20434888
Database identifiers
- CAS
53622-71-2- PubChem CID
- 10058932
- DTXSID
DTXSID20434888- ChEMBL
CHEMBL3245335
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 171
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Compound notes
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