Basic information
- CAS
88461-89-6- Standard SMILES
CCOC(=O)c1c(C)[nH]c2cc(CN(C)C)c(O)c(CN(C)C)c12- InChIKey
YADWRJLASWKRET-UHFFFAOYSA-N- Molecular formula
- C18H27N3O3
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.20524173
Names & identifiers
- Preferred name
- ethyl 4,6-bis(dimethylaminomethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate
- IUPAC
- ethyl 4,6-bis[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate
Names & synonyms
88461-89-6ethyl 4,6-bis(dimethylaminomethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylateDTXSID80275613RefChem:343600DTXCID30227041Ethyl 4,6-bis((dimethylamino)methyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylateethyl 4,6-bis[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylateAH-262/02644011ethyl 5-hydroxy-4,6-bis(dimethylaminomethyl)-2-methylindole-3-carboxylate
Database identifiers
- CAS
88461-89-6- PubChem CID
- 55828
- DTXSID
DTXSID80275613
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…