Ammonium, (3-cyanopropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate
Basic information
- CAS
94946-40-4- Standard SMILES
CC(=O)OCC[N+](C)(C)CCCC#N.[Br-]- InChIKey
KNGLVMKTPMMWOL-UHFFFAOYSA-M- Molecular formula
- C10H19BrN2O2
- Average molar mass
- 279.17 g/mol
- Monoisotopic mass
- 278.06299
Names & identifiers
- Preferred name
- Ammonium, (3-cyanopropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate
- IUPAC
- 2-acetyloxyethyl-(3-cyanopropyl)-dimethylazanium bromide
Names & synonyms
(3-Cyanopropyl)(2-hydroxyethyl)dimethylammonium bromide acetate2531 I.S.94946-40-4AMMONIUM, (3-CYANOPROPYL)(2-HYDROXYETHYL)DIMETHYL-, BROMIDE, ACETATERefChem:318857DTXSID80915204N-[2-(acetyloxy)ethyl]-3-cyano-N,N-dimethylpropan-1-aminium bromide
Database identifiers
- CAS
94946-40-4- PubChem CID
- 56833
- DTXSID
DTXSID80915204
Properties
Computed structural properties
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 228
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Compound notes
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