Basic information
- CAS
2173-47-9- Standard SMILES
CC[NH+](CC)C(C)C(=O)Oc1c(C)cc(C)cc1C.[Cl-]- InChIKey
XEDFZSFSQQMFPZ-UHFFFAOYSA-N- Molecular formula
- C16H26ClNO2
- Average molar mass
- 299.83 g/mol
- Monoisotopic mass
- 299.1652068
Names & identifiers
- Preferred name
- 2,4,6-Trimethylphenyl N,N-diethylalaninate--hydrogen chloride (1/1)
- IUPAC
- diethyl-[1-oxo-1-(2,4,6-trimethylphenoxy)propan-2-yl]azanium chloride
Names & synonyms
2173-47-9DTXSID709443412,4,6-Trimethylphenyl N,N-diethylalaninate--hydrogen chloride (1/1)RefChem:1059644DTXCID001372688L-N,N-Diethylalanine mesityl ester hydrochlorideFC 660ALANINE, N,N-DIETHYL-, MESITYL ESTER, L-, HYDROCHLORIDE
Database identifiers
- CAS
2173-47-9- PubChem CID
- 16580
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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