Basic information
- CAS
88461-90-9- Standard SMILES
CCOC(=O)c1c(C)n(C)c2cc(CN(C)C)c(O)c(CN(C)C)c12- InChIKey
VYZXMUOOBVQICC-UHFFFAOYSA-N- Molecular formula
- C19H29N3O3
- Average molar mass
- 347.5 g/mol
- Monoisotopic mass
- 347.2208918
Names & identifiers
- Preferred name
- ethyl 4,6-bis[(dimethylamino)methyl]-5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylate
- IUPAC
- ethyl 4,6-bis[(dimethylamino)methyl]-5-hydroxy-1,2-dimethylindole-3-carboxylate
- English name
- ethyl 4,6-bis[(dimethylamino)methyl]-5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylate
- Molecular formula
- C19H29N3O3
- Molecular weight
- 347.45
Names & synonyms
88461-90-9ethyl 4,6-bis[(dimethylamino)methyl]-5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylateethyl 4,6-bis((dimethylamino)methyl)-5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylateCBDivE_006124Oprea1_609880DTXSID40275614STL325192AKOS022125392ethyl 4,6-bis[(dimethylamino)methyl]-5-hydroxy-1,2-dimethylindole-3-carboxylateSR-01000197454SR-01000197454-11H-Indole-3-carboxylic acid, 4,6-bis[(dimethylamino)methyl]-5-hydroxy-1,2-dimethyl-, ethyl ester
Database identifiers
- CAS
88461-90-9- PubChem CID
- 55829
- DTXSID
DTXSID40275614
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 457
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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