Basic information
- CAS
42773-71-7- Standard SMILES
CCOC1(c2ccccc2)C(=O)N(CC[NH+](C)C)c2ccccc21.[Cl-]- InChIKey
XLWLZQAFZHCHRR-UHFFFAOYSA-N- Molecular formula
- C20H25ClN2O2
- Average molar mass
- 360.9 g/mol
- Monoisotopic mass
- 360.1604557
Names & identifiers
- Preferred name
- 2H-Indol-2-one, 1,3-dihydro-1-(2-(dimethylamino)ethyl)-3-ethoxy-3-phenyl-, hydrochloride, hemihydrate (2:2:1)
- IUPAC
- 2-(3-ethoxy-2-oxo-3-phenylindol-1-yl)ethyl-dimethylazanium chloride
Names & synonyms
42773-71-71,3-Dihydro-1-(2-(dimethylamino)ethyl)-3-ethoxy-3-phenyl-2H-indol-2-one HCl hydrate2H-Indol-2-one, 1,3-dihydro-1-(2-(dimethylamino)ethyl)-3-ethoxy-3-phenyl-, hydrochloride, hemihydrate (2:2:1)RefChem:268682
Database identifiers
- CAS
42773-71-7- PubChem CID
- 39273
Properties
Computed structural properties
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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