Ammonium, dibutyl((3-hydroxy-2-pyridyl)methyl)methyl-, bromide, dimethylcarbamate (ester)
Basic information
- CAS
66902-87-2- Standard SMILES
CCCC[N+](C)(CCCC)Cc1ncccc1OC(=O)N(C)C.[Br-]- InChIKey
URCSRVOODCZOSY-UHFFFAOYSA-M- Molecular formula
- C18H32BrN3O2
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 401.16779
Names & identifiers
- Preferred name
- Ammonium, dibutyl((3-hydroxy-2-pyridyl)methyl)methyl-, bromide, dimethylcarbamate (ester)
- IUPAC
- dibutyl-[[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl]-methylazanium bromide
Names & synonyms
Ro 2-227966902-87-2Dibutyl((3-hydroxy-2-pyridyl)methyl)methylammonium bromide dimethylcarbamate (ester)Ammonium, dibutyl((3-hydroxy-2-pyridyl)methyl)methyl-, bromide, dimethylcarbamate (ester)RefChem:319200DTXSID00985560N-butyl-N-({3-[(dimethylcarbamoyl)oxy]pyridin-2-yl}methyl)-N-methylbutan-1-aminium bromide
Database identifiers
- CAS
66902-87-2- PubChem CID
- 48319
- DTXSID
DTXSID00985560
Properties
Computed structural properties
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 339
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Related reactions
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Compound notes
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