Basic information
- Standard SMILES
C[N+](C)(C)CCCC=O- InChIKey
OITBLCDWXSXNCN-UHFFFAOYSA-N- Molecular formula
- C7H16NO+
- Average molar mass
- 130.21 g/mol
- Monoisotopic mass
- 130.12264055
Overview
4-trimethylammoniobutanal is a member of butanals. It has a role as a mouse metabolite and a human metabolite.
Names & identifiers
- Preferred name
- gamma-Trimethylaminobutyraldehyde
- IUPAC
- trimethyl(4-oxobutyl)azanium
- English name
- N,N,N-trimethyl-4-oxobutan-1-aminium
- Molecular formula
- C7H16NO
- Molecular weight
- 0
Names & synonyms
4-TRIMETHYLAMMONIOBUTANALTrimethylaminobutyraldehydegamma-Trimethylaminobutyraldehydetrimethyl(4-oxobutyl)azanium64595-66-0N,N,N-trimethyl-4-oxobutan-1-aminium1-Butanaminium, N,N,N-trimethyl-4-oxo-WUJ5N66V6Etrimethyl-(4-oxobutyl)azaniumCHEBI:18020DTXSID20214844RefChem:100569
Show more names
Acetylcholine Chloride Impurity 11
DTXCID50137335trimethyl-(4-oxobutyl)ammoniumN,N,N-trimethyl-4-oxo-1-Butanaminium4-(trimethylamino)butanalgamma-Butyrobetaine aldehydeSCHEMBL6407124-N-trimethylaminobutyraldehydeGTPL6604
Database identifiers
- CAS
64595-66-0- PubChem CID
- 133
- DTXSID
DTXSID20214844- ChEBI
CHEBI:18020- UNII
- WUJ5N66V6E
- Nikkaji
- J2.362.000F
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 1
- Complexity
- 83.4
Experimental & physicochemical properties
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Metabolite PathwaysCarnitine Synthesis
Suppliers2 total
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
Additional notes
DefinitionChEBI: 4-trimethylammoniobutanal is a member of butanals. It has a role as a mouse metabolite and a human metabolite.
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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