Acetic acid, ((2-ethyl-6-methyl-3-pyridinyl)oxy)-, 2-(diethylamino)ethyl ester, ethanedioate (1:2)
Basic information
- CAS
132401-78-6- Standard SMILES
CCc1nc(C)ccc1OCC(=O)OCCN(CC)CC.O=C(O)C(=O)O.O=C(O)C(=O)O- InChIKey
VFWZAVBBXAGVTI-UHFFFAOYSA-N- Molecular formula
- C20H30N2O11
- Average molar mass
- 474.5 g/mol
- Monoisotopic mass
- 474.18495978
Names & identifiers
- Preferred name
- Acetic acid, ((2-ethyl-6-methyl-3-pyridinyl)oxy)-, 2-(diethylamino)ethyl ester, ethanedioate (1:2)
- IUPAC
- 2-(diethylamino)ethyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;oxalic acid
Names & synonyms
Acetic acid, ((2-ethyl-6-methyl-3-pyridinyl)oxy)-, 2-(diethylamino)ethyl ester, ethanedioate (1:2)132401-78-6DTXSID00157523RefChem:315919DTXCID2080014Oxalic acid--2-(diethylamino)ethyl [(2-ethyl-6-methylpyridin-3-yl)oxy]acetate (2/1)
Database identifiers
- CAS
132401-78-6- PubChem CID
- 3076745
- DTXSID
DTXSID00157523
Properties
Computed structural properties
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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