2,6-Dimethoxyphenyl N,N-diethylalaninate--hydrogen chloride (1/1)
Basic information
- CAS
2409-35-0- Standard SMILES
CCN(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
Overview
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Names & identifiers
- Preferred name
- 2,6-Dimethoxyphenyl N,N-diethylalaninate--hydrogen chloride (1/1)
- IUPAC
- (2,6-dimethoxyphenyl) 2-(diethylamino)propanoate;hydrochloride
Names & synonyms
DTXSID709469262,6-Dimethoxyphenyl N,N-diethylalaninate--hydrogen chloride (1/1)
Database identifiers
- CAS
2409-35-0- PubChem CID
- 74069880
- DTXSID
DTXSID70946926
Properties
Computed structural properties
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 282
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