Basic information
- CAS
63917-63-5- Standard SMILES
CC[NH+](CC)C(C)CC1(c2ccccc2)C(=O)Oc2ccccc21.[Cl-]- InChIKey
ZSVPPOWKJGVDON-UHFFFAOYSA-N- Molecular formula
- C21H26ClNO2
- Average molar mass
- 359.9 g/mol
- Monoisotopic mass
- 359.1652068
Names & identifiers
- Preferred name
- 2(3H)-Benzofuranone, 3-((2-diethylamino-2-methyl)ethyl)-3-phenyl-, hydrochloride
- IUPAC
- diethyl-[1-(2-oxo-3-phenyl-1-benzofuran-3-yl)propan-2-yl]azanium chloride
Names & synonyms
AP 722(3H)-BENZOFURANONE, 3-((2-DIETHYLAMINO-2-METHYL)ETHYL)-3-PHENYL-, HYDROCHLORIDE63917-63-5RefChem:241463
Database identifiers
- CAS
63917-63-5- PubChem CID
- 45299
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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