Basic information
- CAS
63917-58-8- Standard SMILES
CC[NH+](CC)CCC1(C2CCCCC2)C(=O)Oc2ccccc21.[Cl-]- InChIKey
BRBRZCHDAPWVRY-UHFFFAOYSA-N- Molecular formula
- C20H30ClNO2
- Average molar mass
- 351.9 g/mol
- Monoisotopic mass
- 351.1965069
Names & identifiers
- Preferred name
- 2(3H)-Benzofuranone, 3-cyclohexyl-3-(2-(diethylamino)ethyl)-, hydrochloride
- IUPAC
- 2-(3-cyclohexyl-2-oxo-1-benzofuran-3-yl)ethyl-diethylazanium chloride
Names & synonyms
AP 732(3H)-BENZOFURANONE, 3-CYCLOHEXYL-3-(2-(DIETHYLAMINO)ETHYL)-, HYDROCHLORIDE63917-58-8RefChem:241475
Database identifiers
- CAS
63917-58-8- PubChem CID
- 45289
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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