N,N-Bis(2-hydroxyethyl)-N-methylbutan-1-aminium bromide
Basic information
- CAS
73016-18-9- Standard SMILES
CCCC[N+](C)(CCO)CCO.[Br-]- InChIKey
LVPQDMDVCZOHCK-UHFFFAOYSA-M- Molecular formula
- C9H22BrNO2
- Average molar mass
- 256.18 g/mol
- Monoisotopic mass
- 255.08339
Names & identifiers
- Preferred name
- N,N-Bis(2-hydroxyethyl)-N-methylbutan-1-aminium bromide
- IUPAC
- butyl-bis(2-hydroxyethyl)-methylazanium bromide
Names & synonyms
73016-18-9N,N-Bis(2-hydroxyethyl)-N-methylbutan-1-aminium bromideSCHEMBL10696639DTXSID50603247
Database identifiers
- CAS
73016-18-9- PubChem CID
- 20183920
- DTXSID
DTXSID50603247
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 101
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Compound notes
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