3-(Benzylamino)-4,4-dimethyldihydrofuran-2(3H)-one
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Basic information
- CAS
806615-33-8- Standard SMILES
CC1(C)COC(=O)C1NCc1ccccc1- InChIKey
KXIKEHVADCLNQL-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592879
Names & identifiers
- Preferred name
- 3-(Benzylamino)-4,4-dimethyldihydrofuran-2(3H)-one
- IUPAC
- 3-(benzylamino)-4,4-dimethyloxolan-2-one
- English name
- 2(3H)-Furanone,dihydro-4,4-dimethyl-3-[(phenylmethyl)amino]-(9CI)
- Molecular formula
- C13H17NO2
- Molecular weight
- 219.28
Names & synonyms
3-(Benzylamino)-4,4-dimethyldihydrofuran-2(3H)-one806615-33-82(3H)-Furanone, dihydro-4,4-dimethyl-3-[(phenylmethyl)amino]-2(3H)-Furanone,dihydro-4,4-dimethyl-3-[(phenylmethyl)amino]-(9CI)
Database identifiers
- CAS
806615-33-8- PubChem CID
- 45097595
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
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Compound notes
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