2,6-Diethylphenyl N,N-diethylalaninate--hydrogen chloride (1/1)
Basic information
- CAS
2282-89-5- Standard SMILES
CCc1cccc(CC)c1OC(=O)C(C)[NH+](CC)CC.[Cl-]- InChIKey
OVQHNONIYUKUIV-UHFFFAOYSA-N- Molecular formula
- C17H28ClNO2
- Average molar mass
- 313.9 g/mol
- Monoisotopic mass
- 313.1808568
Names & identifiers
- Preferred name
- 2,6-Diethylphenyl N,N-diethylalaninate--hydrogen chloride (1/1)
- IUPAC
- [1-(2,6-diethylphenoxy)-1-oxopropan-2-yl]-diethylazanium chloride
Names & synonyms
DTXSID909454962,6-Diethylphenyl N,N-diethylalaninate--hydrogen chloride (1/1)RefChem:1060252DTXCID601373810L-N,N-Diethylalanine 2,6-diethylphenyl ester hydrochloride2282-89-5[1-(2,6-diethylphenoxy)-1-oxopropan-2-yl]-diethylazanium;chlorideFC 642ALANINE, N,N-DIETHYL-, 2,6-DIETHYLPHENYL ESTER, L-, HYDROCHLORIDE
Database identifiers
- CAS
2282-89-5- PubChem CID
- 16788
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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