Ambutonium

Base Information

• Chemical Name: Ambutonium
• CAS No.: 14007-49-9
• Molecular Formula: C20H27BrN2O
• Molecular Weight: 391.3452
• Hs Code.: 2924299090
• NSC Number: 9549
• UNII: 4O677EQ77U
• DSSTox Substance ID: DTXSID40871594
• Nikkaji Number: J13.464C
• Wikidata: Q27260275
• NCI Thesaurus Code: C79895
• ChEMBL ID: CHEMBL2110771
• Mol file: 14007-49-9.mol

Synonyms:Ambutonium;14007-49-9;Ambutonium ion;Ambutonium cation;UNII-4O677EQ77U;4O677EQ77U;(3-Carbamoyl-3,3-diphenylpropyl)ethyldimethylammonium;Ammonium, (3-carbamoyl-3,3-diphenylpropyl)ethyldimethyl-;C20-H27-N2-O.Br;C20H27N2O;NSC9549;Benzenepropanaminium, gamma-(aminocarbonyl)-N-ethyl-N,N-dimethyl-gamma-phenyl-;AMBUTONIUM [WHO-DD];(4-amino-4-oxo-3,3-diphenylbutyl)-ethyl-dimethylazanium;CHEMBL2110771;SCHEMBL11946672;DTXSID40871594;CHEBI:135331;NSC-9549;Q27260275;N-(3,3-Diphenyl-3-carbamoylpropyl)-N,N-dimethylethanaminium;4-Amino-N-ethyl-N,N-dimethyl-4-oxo-3,3-diphenylbutan-1-aminium;Benzenepropanaminium, .gamma.-(aminocarbonyl)-N-ethyl-N,N-dimethyl-.gamma.-phenyl-

Chemical Property of Ambutonium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 44.08000
• Density: g/cm³
• LogP: 4.09410
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 311.212338489
• Heavy Atom Count: 23
• Complexity: 361

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+](C)(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N