2(3H)-Benzofuranone, 3-(11-(diethylamino)undecyl)-3-phenyl-, hydrochloride
Basic information
- CAS
63917-65-7- Standard SMILES
CC[NH+](CC)CCCCCCCCCCCC1(c2ccccc2)C(=O)Oc2ccccc21.[Cl-]- InChIKey
ZTYGXAJTOOFVGB-UHFFFAOYSA-N- Molecular formula
- C29H42ClNO2
- Average molar mass
- 472.1 g/mol
- Monoisotopic mass
- 471.2904073
Names & identifiers
- Preferred name
- 2(3H)-Benzofuranone, 3-(11-(diethylamino)undecyl)-3-phenyl-, hydrochloride
- IUPAC
- diethyl-[11-(2-oxo-3-phenyl-1-benzofuran-3-yl)undecyl]azanium chloride
Names & synonyms
3-(11-(Diethylamino)undecyl)-3-phenyl-2(3H)-benzofuranone hydrochloride63917-65-72(3H)-BENZOFURANONE, 3-(11-(DIETHYLAMINO)UNDECYL)-3-PHENYL-, HYDROCHLORIDERefChem:241464
Database identifiers
- CAS
63917-65-7- PubChem CID
- 45303
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 525
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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