2,6-Dimethylphenyl N,N-diethylalaninate--hydrogen chloride (1/1)
Basic information
- CAS
2014-27-9- Standard SMILES
CC[NH+](CC)C(C)C(=O)Oc1c(C)cccc1C.[Cl-]- InChIKey
ZSBOXIZAKHAZLG-UHFFFAOYSA-N- Molecular formula
- C15H24ClNO2
- Average molar mass
- 285.81 g/mol
- Monoisotopic mass
- 285.1495567
Names & identifiers
- Preferred name
- 2,6-Dimethylphenyl N,N-diethylalaninate--hydrogen chloride (1/1)
- IUPAC
- [1-(2,6-dimethylphenoxy)-1-oxopropan-2-yl]-diethylazanium chloride
Names & synonyms
2014-27-9DTXSID209421752,6-Dimethylphenyl N,N-diethylalaninate--hydrogen chloride (1/1)RefChem:1060286DTXCID701370588L-N,N-Diethylalanine 2,6-xylyl ester hydrochlorideFC 457ALANINE, N,N-DIETHYL-, 2,6-XYLYL ESTER, L-, HYDROCHLORIDE
Database identifiers
- CAS
2014-27-9- PubChem CID
- 16206
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…