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Basic information
- CAS
19732-58-2- Standard SMILES
CC1=C(C#N)C(C)C2=C(CC(C)(C)CC2=O)N1- InChIKey
RDMDDPNHSPUVQK-UHFFFAOYSA-N- Molecular formula
- C14H18N2O
- Average molar mass
- 230.311 g/mol
- Monoisotopic mass
- 230.1419132
Names & identifiers
- Preferred name
- 1,4,5,6,7,8-Hexahydro-2,4,7,7-tetramethyl-5-oxo-3-quinolinecarbonitrile
- IUPAC
- 2,4,7,7-Tetramethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
- English name
- 2,4,7,7-tetramethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- Molecular formula
- C14H18N2O
- Molecular weight
- 230.31
Names & synonyms
2,4,7,7-tetramethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile3-Quinolinecarbonitrile, 1,4,5,6,7,8-hexahydro-2,4,7,7-tetramethyl-5-oxo-
Database identifiers
- CAS
19732-58-2- PubChem CID
- 2829708
- DTXSID
DTXSID101152631- ChEMBL
CHEMBL1373478- EC Number
- 131-989-8
Properties
Physicochemical properties
- Melting point
- 198 · 198-200 °C
- Boiling point
- 371.6 · 371.6±42.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 0.77 · 0.77±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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