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Basic information
- CAS
2409-35-0- Standard SMILES
CC[NH+](CC)C(C)C(=O)Oc1c(OC)cccc1OC.[Cl-]- InChIKey
KKCHUHXVGGNXFE-UHFFFAOYSA-N- Molecular formula
- C15H24ClNO4
- Average molar mass
- 317.81 g/mol
- Monoisotopic mass
- 317.1393859
Names & identifiers
- Preferred name
- Alanine, N,N-diethyl-, 2,6-dimethoxyphenyl ester, L-, hydrochloride
- IUPAC
- [1-(2,6-dimethoxyphenoxy)-1-oxopropan-2-yl]-diethylazanium chloride
Names & synonyms
2409-35-0ALANINE, N,N-DIETHYL-, 2,6-DIMETHOXYPHENYL ESTER, L-, HYDROCHLORIDERefChem:1076293L-N,N-Diethylalanine 2,6-dimethoxyphenyl ester hydrochlorideFC 650
Database identifiers
- CAS
2409-35-0- PubChem CID
- 17002
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
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Compound notes
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