Basic information
- CAS
14007-49-9- Standard SMILES
CC[N+](C)(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1- InChIKey
KFZMXOLSYABOSE-UHFFFAOYSA-O- Molecular formula
- C20H27N2O+
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.21233849
Overview
Ambutonium is a diarylmethane.
Names & identifiers
- Preferred name
- gamma-(Aminocarbonyl)-N-ethyl-N,N-dimethyl-gamma-phenylbenzenepropanaminium
- IUPAC
- (4-amino-4-oxo-3,3-diphenylbutyl)-ethyl-dimethylazanium
- English name
- N-(3,3-Diphenyl-3-carbamoylpropyl)-N,N-dimethylethanaminium
- Molecular weight
- 0
Names & synonyms
AmbutoniumAmbutonium ion14007-49-9Ambutonium cation4O677EQ77U(3-Carbamoyl-3,3-diphenylpropyl)ethyldimethylammoniumRefChem:1085682gamma-(Aminocarbonyl)-N-ethyl-N,N-dimethyl-gamma-phenylbenzenepropanaminium3(R)-(2-hydroxy-2,2-dithien-2-ylacetoxy)-1-(3-phenoxypropyl)-l-azoniabicyclo(2.2.2) OctaneUNII-4O677EQ77UNSC9549(4-amino-4-oxo-3,3-diphenylbutyl)-ethyl-dimethylazanium
Show more names
AMBUTONIUM [WHO-DD]CHEMBL2110771SCHEMBL11946672Ammonium, (3-carbamoyl-3,3-diphenylpropyl)ethyldimethyl-DTXSID40871594CHEBI:135331N-(3,3-Diphenyl-3-carbamoylpropyl)-N,N-dimethylethanaminiumNSC-9549
Database identifiers
- CAS
14007-49-9- PubChem CID
- 8277
- DTXSID
DTXSID40871594- ChEMBL
CHEMBL2110771- ChEBI
CHEBI:135331
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 1
- Complexity
- 361
Physicochemical properties
- FDA UNII
- 4 O677EQ77U · 4O677EQ77U
Chemistry & industry
Additional notes
DefinitionChEBI: Ambutonium is a diarylmethane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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