Acetic acid, ((2-ethyl-6-methyl-3-pyridinyl)oxy)-, 2-(dimethylamino)ethyl ester, ethanedioate (1:2)
Basic information
- CAS
132401-76-4- Standard SMILES
CCc1nc(C)ccc1OCC(=O)OCCN(C)C.O=C(O)C(=O)O.O=C(O)C(=O)O- InChIKey
ZQAHDNFQQHHUAH-UHFFFAOYSA-N- Molecular formula
- C18H26N2O11
- Average molar mass
- 446.4 g/mol
- Monoisotopic mass
- 446.15365965
Names & identifiers
- Preferred name
- Acetic acid, ((2-ethyl-6-methyl-3-pyridinyl)oxy)-, 2-(dimethylamino)ethyl ester, ethanedioate (1:2)
- IUPAC
- 2-(dimethylamino)ethyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;oxalic acid
Names & synonyms
Acetic acid, ((2-ethyl-6-methyl-3-pyridinyl)oxy)-, 2-(dimethylamino)ethyl ester, ethanedioate (1:2)2-Dimethylaminoethyl 2-ethyl-6-methylpyrid-3-yloxyacetic dioxalate132401-76-4DTXSID40157522RefChem:315920DTXCID7080013Oxalic acid--2-(dimethylamino)ethyl [(2-ethyl-6-methylpyridin-3-yl)oxy]acetate (2/1)
Database identifiers
- CAS
132401-76-4- PubChem CID
- 3076743
- DTXSID
DTXSID40157522
Properties
Computed structural properties
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 343
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Compound notes
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