Basic information
- CAS
77985-21-8- Standard SMILES
CC[NH+](CC)C(C)CC(=O)Nc1c(C)cccc1C.[Cl-]- InChIKey
RQQNLOPLFGLPCI-UHFFFAOYSA-N- Molecular formula
- C16H27ClN2O
- Average molar mass
- 298.8 g/mol
- Monoisotopic mass
- 298.1811912
Names & identifiers
- Preferred name
- 2',6'-Butyroxylidide, 3-(diethylamino)-, hydrochloride
- IUPAC
- [4-(2,6-dimethylanilino)-4-oxobutan-2-yl]-diethylazanium chloride
Names & synonyms
2',6'-BUTYROXYLIDIDE, 3-(DIETHYLAMINO)-, HYDROCHLORIDE77985-21-8RefChem:1058611C 51253-(Diethylamino)-2',6'-butyroxylidide hydrochloride
Database identifiers
- CAS
77985-21-8- PubChem CID
- 54023
Properties
Computed structural properties
- Topological polar surface area
- 33.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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