Basic information
- CAS
16655-25-7- Standard SMILES
C[N+](C)(C)CCOS(=O)(=O)O- InChIKey
WXCQAWGXWVRCGP-UHFFFAOYSA-O- Molecular formula
- C5H14NO4S+
- Average molar mass
- 184.24 g/mol
- Monoisotopic mass
- 184.0643541
Overview
Choline hydrogen sulfate is a member of choline sulfates and a quaternary ammonium ion. It is a conjugate acid of a choline sulfate.
Names & identifiers
- Preferred name
- Choline hydrogen sulfate
- IUPAC
- trimethyl(2-sulfooxyethyl)azanium
Names & synonyms
choline hydrogen sulfateN,N,N-trimethyl-2-(sulfooxy)ethanaminiumCHEBI:52859DTXSID90168128RefChem:125754DTXCID609061916655-25-7trimethyl(2-sulfooxyethyl)azaniumSCHEMBL339065N,N,N-Trimethyl-2-(sulfooxy)ethan-1-aminiumQ27123645
Database identifiers
- CAS
16655-25-7- PubChem CID
- 486
- DTXSID
DTXSID90168128- ChEBI
CHEBI:52859
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 1
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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