Basic information
- CAS
16597-24-3- Standard SMILES
CCCCC(=O)OCC[N+](C)(C)C- InChIKey
NDWNNGOMAATBHL-UHFFFAOYSA-N- Molecular formula
- C10H22NO2+
- Average molar mass
- 188.29 g/mol
- Monoisotopic mass
- 188.16505395
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Pentanoylcholine
- IUPAC
- trimethyl(2-pentanoyloxyethyl)azanium
- English name
- pentanoylcholine
- Molecular weight
- 0
Names & synonyms
Pentanoylcholine16597-24-3DTXSID60168054RefChem:171448DTXCID5090545SCHEMBL16352919N,N,N-Trimethyl-2-(pentanoyloxy)ethan-1-aminiumEthanaminium, N,N,N-trimethyl-2-((1-oxopentyl)oxy)-
Database identifiers
- CAS
16597-24-3- PubChem CID
- 18077
- DTXSID
DTXSID60168054- Nikkaji
- J110.191I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 1
- Complexity
- 149
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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