Basic information
- CAS
2963-75-9- Standard SMILES
CCCCC(=O)OCC[N+](C)(C)C.[I-]- InChIKey
RWGZXGARZIWPQA-UHFFFAOYSA-M- Molecular formula
- C10H22INO2
- Average molar mass
- 315.19 g/mol
- Monoisotopic mass
- 315.06952694
Names & identifiers
- Preferred name
- Valerylcholine iodide
- IUPAC
- trimethyl(2-pentanoyloxyethyl)azanium iodide
- English name
- VALERYLCHOLINE IODIDE
- Molecular formula
- C10H22INO2
- Molecular weight
- 315.19
Names & synonyms
Valerylcholine iodide2963-75-9Choline, iodide, valerateNSC 88944(2-Hydroxyethyl)trimethylammonium iodide valerateAMMONIUM, (2-HYDROXYETHYL)TRIMETHYL-, IODIDE, VALERATEEthanaminium, N,N,N-trimethyl-2-((1-oxopentyl)oxy)-, iodideDTXSID10883543Ethanaminium, N,N,N-trimethyl-2-[(1-oxopentyl)oxy]-, iodideEthanaminium, N,N,N-trimethyl-2-((1-oxopentyl)oxy)-, iodide (1:1)Ethanaminium, N,N,N-trimethyl-2-[(1-oxopentyl)oxy]-, iodide (1:1)RefChem:901592
Show more names
(2-hydroxyethyl)trimethylammoniumiodidevalerateammonium,(2-hydroxyethyl)trimethyl-,iodide,valeraten,n,n-trimethyl-2-[(1-oxopentyl)oxy]-ethanaminiuiodide
DTXCID701023066Pentanoylcholine iodidetrimethyl(2-pentanoyloxyethyl)azanium;iodideO-Butyrylcholine chlorideCholine, valerateAmmonium, iodide, valerateRWGZXGARZIWPQA-UHFFFAOYSA-MNSC88944
Database identifiers
- CAS
2963-75-9- PubChem CID
- 18076
- DTXSID
DTXSID10883543
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- EPA Substance Registry System
- -2 · Ethanaminium, N,N,N-trimethyl-2-[(1-oxopentyl)oxy]-, iodide (2963-75-9)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanaminium, N,N,N-trimethyl-2-[(1-oxopentyl)oxy]-, iodide (1:1): INACTIVE
Suppliers2 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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