Basic information
- CAS
106609-76-1- Standard SMILES
CN(C)CC1(C)OC(=O)C(Cl)=C1c1ccccc1- InChIKey
ODLWXXDTMOWJMA-UHFFFAOYSA-N- Molecular formula
- C14H16ClNO2
- Average molar mass
- 265.73 g/mol
- Monoisotopic mass
- 265.0869564
Names & identifiers
- Preferred name
- 2(5H)-Furanone, 3-chloro-5-((dimethylamino)methyl)-5-methyl-4-phenyl-
- IUPAC
- 3-chloro-5-[(dimethylamino)methyl]-5-methyl-4-phenylfuran-2-one
- English name
- 3-chloro-5-(dimethylaminomethyl)-5-methyl-4-phenyl-furan-2-one
- Molecular formula
- C14H16ClNO2
- Molecular weight
- 265.74
Names & synonyms
106609-76-1BRN 57501053-Chloro-5-((dimethylamino)methyl)-5-methyl-4-phenyl-2(5H)-furanone2(5H)-FURANONE, 3-CHLORO-5-((DIMETHYLAMINO)METHYL)-5-METHYL-4-PHENYL-RefChem:2417683-chloro-5-(dimethylaminomethyl)-5-methyl-4-phenylfuran-2-one3-chloro-5-[(dimethylamino)methyl]-5-methyl-4-phenylfuran-2-oneDTXSID009100543-chloro-5-[(dimethylamino)methyl]-5-methyl-4-phenylfuran-2(5h)-one3-chloro-5-(dimethylaminomethyl)-5-methyl-4-phenyl-furan-2-one2(5H)-Furanone, 3-chloro-5-[(dimethylamino)methyl]-5-methyl-4-phenyl-
Database identifiers
- CAS
106609-76-1- PubChem CID
- 60153
- DTXSID
DTXSID00910054
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Melting point
- 51 · 51-52 °C
- Boiling point
- 394.9 · 394.9±42.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 7.8 · 7.80±0.28(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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