Carbamic acid, dimethyl-, 2-((butylmethylamino)methyl)-3-pyridinyl ester, ethanedioate (1:1)
Basic information
- CAS
169128-31-8- Standard SMILES
CCCCN(C)Cc1ncccc1OC(=O)N(C)C.O=C(O)C(=O)O- InChIKey
PQJYWYLRWKREQT-UHFFFAOYSA-N- Molecular formula
- C16H25N3O6
- Average molar mass
- 355.39 g/mol
- Monoisotopic mass
- 355.17433553
Names & identifiers
- Preferred name
- Carbamic acid, dimethyl-, 2-((butylmethylamino)methyl)-3-pyridinyl ester, ethanedioate (1:1)
- IUPAC
- [2-[[butyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate;oxalic acid
- English name
- 2-((Butylmethylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioat e (1:1)
- Molecular formula
- C14H23N3O2.C2H2O4
- Molecular weight
- 355.388
Names & synonyms
169128-31-8Carbamic acid, dimethyl-, 2-((butylmethylamino)methyl)-3-pyridinyl ester, ethanedioate (1:1)2-((Butylmethylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioate (1:1)3-Pyridinol, 2-((butylmethylamino)methyl)-, dimethylcarbamate, oxalateDTXSID80168652RefChem:332365DTXCID5091143[2-[[butyl(methyl)amino]methyl]pyridin-3-yl] N,N-dimethylcarbamate;oxalic acidOxalic acid--2-{[butyl(methyl)amino]methyl}pyridin-3-yl dimethylcarbamate (1/1)[2-[[butyl(methyl)amino]methyl]pyridin-3-yl] N,N-dimethylcarbamate2-((Butylmethylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioat e (1:1)
Database identifiers
- CAS
169128-31-8- PubChem CID
- 3074945
- DTXSID
DTXSID80168652
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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