Basic information
- CAS
14075-13-9- Standard SMILES
COC(=O)CCC[N+](C)(C)C- InChIKey
XQSLKIBWQSTAGK-UHFFFAOYSA-N- Molecular formula
- C8H18NO2+
- Average molar mass
- 160.23 g/mol
- Monoisotopic mass
- 160.13375382
Overview
Carpronium is a methyl ester resulting from the formal condensation of the carboxy group of 4-(trimethylammonio)butanoic acid with methanol. It is a methyl ester and a quaternary ammonium ion. It is functionally related to a 4-(trimethylammonio)butanoic acid.
Names & identifiers
- Preferred name
- Carpronium
- IUPAC
- (4-methoxy-4-oxobutyl)-trimethylazanium
- English name
- carpronium
- Molecular formula
- C8H18NO2+
- Molecular weight
- 160.24
Names & synonyms
Carproniumcarpronium ion14075-13-9carpronium cationX6UK728GLZDTXSID8048236CHEBI:145653(3-CARBOXYPROPYL)TRIMETHYLAMMONIUM, METHYL ESTERRefChem:123815DTXCID30282113-methoxycarbonylpropyltrimethylammonium chlorideUNII-X6UK728GLZ
Show more names
4-Methoxy-N,N,N-trimethyl-4-oxo-1-butanaminium
(4-methoxy-4-oxobutyl)-trimethylazanium4-methoxy-n,n,n-trimethyl-4-oxobutan-1-aminiumAmmonium, (3-carboxypropyl)trimethyl-, methyl esterNCGC00181355-01CARPRONIUM [WHO-DD]SCHEMBL195274CHEMBL1896433NCGC00181355-02
Database identifiers
- CAS
14075-13-9- PubChem CID
- 2582
- DTXSID
DTXSID8048236- ChEMBL
CHEMBL1896433- ChEBI
CHEBI:145653- UNII
- X6UK728GLZ
- Nikkaji
- J39.445I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 1
- Complexity
- 127
Physicochemical properties
- FDA UNII
- 6 UK728GLZ · X6UK728GLZ
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Additional notes
DefinitionChEBI: Carpronium is a methyl ester resulting from the formal condensation of the carboxy group of 4-(trimethylammonio)butanoic acid with methanol. It is a quaternary ammonium ion and a methyl ester. It is functionally related to a 4-(trimethylammonio)butanoic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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