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Ammonium, N-butyl-N',N'-dimethyl-N,N,N'-triethyl-N,N'-oxydiethylenedi-, dibromide

HCID 47241
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Basic information

CAS
64059-39-8
Standard SMILES
CCCC[N+](CC)(CC)CCOCC[N+](C)(C)CC.[Br-].[Br-]
InChIKey
NSDGGCIJILWODV-UHFFFAOYSA-L
Molecular formula
C16H38Br2N2O
Average molar mass
434.3 g/mol
Monoisotopic mass
432.13509

Names & identifiers

Preferred name
Ammonium, N-butyl-N',N'-dimethyl-N,N,N'-triethyl-N,N'-oxydiethylenedi-, dibromide
IUPAC
butyl-diethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethoxy]ethyl]azanium dibromide

Names & synonyms

AS-13,672Ammonium, N-butyl-N',N'-dimethyl-N,N,N'-triethyl-N,N'-oxydiethylenedi-, dibromide64059-39-8RefChem:319428DTXSID30982547N,N-Diethyl-N-(2-{2-[ethyl(dimethyl)azaniumyl]ethoxy}ethyl)butan-1-aminium dibromideN,N-Diethyl-N-(2-{2-[ethyldi(methyl)azaniumyl]ethoxy}ethyl)butan-1-aminium dibromide

Database identifiers

CAS
64059-39-8
PubChem CID
47241
DTXSID
DTXSID30982547

Properties

Computed structural properties

Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
12
Heavy atoms
21
Formal charge
0
Complexity
213

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