Basic information
- CAS
543-17-9- Standard SMILES
C[N+](C)(C)CCO[N+](=O)[O-].[OH-]- InChIKey
ZQCMIIFDTOZOCG-UHFFFAOYSA-M- Molecular formula
- C5H14N2O4
- Average molar mass
- 166.18 g/mol
- Monoisotopic mass
- 166.09535693
Names & identifiers
- Preferred name
- Choline, nitrate (ester), hydroxide
- IUPAC
- trimethyl(2-nitrooxyethyl)azanium hydroxide
Names & synonyms
Choline, nitrate (ester), hydroxide543-17-9RefChem:1081494Choline, hydroxide, nitrateEthanaminium, N,N,N-trimethyl-2-(nitrooxy)-, hydroxideNitrocholinen,n,n-trimethyl-2-(nitrooxy)ethanaminium hydroxideNitricholine hydroxideNH329Q9DWQDTXSID40969349N,N,N-Trimethyl-2-(nitrooxy)ethan-1-aminium hydroxide
Database identifiers
- CAS
543-17-9- PubChem CID
- 68338
- DTXSID
DTXSID40969349- UNII
- NH329Q9DWQ
Properties
Computed structural properties
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 113
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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