2(3H)-Benzofuranone, 3-(2-(diethylamino)ethyl)-5-methyl-3-propyl-, hydrochloride
Basic information
- CAS
63938-76-1- Standard SMILES
CCCC1(CC[NH+](CC)CC)C(=O)Oc2ccc(C)cc21.[Cl-]- InChIKey
KKHORYRSUULMHO-UHFFFAOYSA-N- Molecular formula
- C18H28ClNO2
- Average molar mass
- 325.9 g/mol
- Monoisotopic mass
- 325.1808568
Names & identifiers
- Preferred name
- 2(3H)-Benzofuranone, 3-(2-(diethylamino)ethyl)-5-methyl-3-propyl-, hydrochloride
- IUPAC
- diethyl-[2-(5-methyl-2-oxo-3-propyl-1-benzofuran-3-yl)ethyl]azanium chloride
Names & synonyms
AP 5263938-76-12(3H)-BENZOFURANONE, 3-(2-(DIETHYLAMINO)ETHYL)-5-METHYL-3-PROPYL-, HYDROCHLORIDERefChem:241467
Database identifiers
- CAS
63938-76-1- PubChem CID
- 45613
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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