N,N-Diethyl-N-[(oxiran-2-yl)methyl]ethanaminium bromide
Basic information
- CAS
109524-05-2- Standard SMILES
CC[N+](CC)(CC)CC1CO1.[Br-]- InChIKey
ZVKNFWSJGKGQDB-UHFFFAOYSA-M- Molecular formula
- C9H20BrNO
- Average molar mass
- 238.17 g/mol
- Monoisotopic mass
- 237.07283
Names & identifiers
- Preferred name
- N,N-Diethyl-N-[(oxiran-2-yl)methyl]ethanaminium bromide
- IUPAC
- triethyl(oxiran-2-ylmethyl)azanium bromide
Names & synonyms
109524-05-2SCHEMBL455129N,N-Diethyl-N-[(oxiran-2-yl)methyl]ethanaminium bromideDTXSID90603307
Database identifiers
- CAS
109524-05-2- PubChem CID
- 20187634
- DTXSID
DTXSID90603307
Properties
Computed structural properties
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 112
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Compound notes
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