Basic information
- CAS
95652-98-5- Standard SMILES
COc1cc2c3c(c1OC)-c1c(O)cccc1C[C@@H]3N(C)CC2- InChIKey
VTAAORZZHQBCCO-ZDUSSCGKSA-N- Molecular formula
- C19H21NO3
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.15214353
Names & identifiers
- Preferred name
- 1,2-Dimethoxy-11-hydroxyaporphine
- IUPAC
- (6aS)-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
Names & synonyms
95652-98-51,2-Dimethoxy-11-hydroxyaporphineDTXSID70914887(6aS)-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
Database identifiers
- CAS
95652-98-5- PubChem CID
- 178786
- DTXSID
DTXSID70914887
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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