Basic information
- CAS
1877-24-3- Standard SMILES
CCC(C(=O)Oc1c(C)cccc1C)[NH+](CC)CC.[Cl-]- InChIKey
XAOJSXAPIUNAKB-UHFFFAOYSA-N- Molecular formula
- C16H26ClNO2
- Average molar mass
- 299.83 g/mol
- Monoisotopic mass
- 299.1652068
Names & identifiers
- Preferred name
- 2,6-Dimethylphenyl 2-(diethylamino)butanoate--hydrogen chloride (1/1)
- IUPAC
- [1-(2,6-dimethylphenoxy)-1-oxobutan-2-yl]-diethylazanium chloride
Names & synonyms
1877-24-3DTXSID809402332,6-Dimethylphenyl 2-(diethylamino)butanoate--hydrogen chloride (1/1)RefChem:1060284DTXCID0013687042-(Diethylamino)butyric acid 2,6-xylyl ester hydrochlorideFC 455BUTYRIC ACID, 2-(DIETHYLAMINO)-, 2,6-XYLYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
1877-24-3- PubChem CID
- 15871
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- 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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