Basic information
- CAS
63917-60-2- Standard SMILES
CCCC[NH+](CCCC)CCCC1(c2ccccc2)C(=O)Oc2ccccc21.[Cl-]- InChIKey
DWYCPPAVBIZSHC-UHFFFAOYSA-N- Molecular formula
- C25H34ClNO2
- Average molar mass
- 416 g/mol
- Monoisotopic mass
- 415.227807
Names & identifiers
- Preferred name
- 2(3H)-Benzofuranone, 3-(3-(dibutylamino)propyl)-3-phenyl-, hydrochloride
- IUPAC
- dibutyl-[3-(2-oxo-3-phenyl-1-benzofuran-3-yl)propyl]azanium chloride
Names & synonyms
AP 812(3H)-BENZOFURANONE, 3-(3-(DIBUTYLAMINO)PROPYL)-3-PHENYL-, HYDROCHLORIDE63917-60-2RefChem:241472
Database identifiers
- CAS
63917-60-2- PubChem CID
- 45293
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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