Octamethonium

HCID 19744

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Basic information

CAS: 14490-60-9
Standard SMILES: C[N+](C)(C)CCCCCCCC[N+](C)(C)C
InChIKey: XDZILQXNIZCEDV-UHFFFAOYSA-N
Molecular formula: C14H34N2+2
Average molar mass: 230.43 g/mol
Monoisotopic mass: 230.27219909

Names & identifiers

Preferred name: Octamethonium
IUPAC: trimethyl-[8-(trimethylazaniumyl)octyl]azanium

Names & synonyms

OctamethoniumCHEMBL122587G66M3A5FR2SCHEMBL6931794CHEMBL1180335Octamethylenebis[trimethylammonium]Ammonium, octamethylenebis[trimethyl-BDBM50060587octane-1,8-bis(trimethylammonium bromide)1,8-bis-(trimethyl ammonium) octane dibromide1,8-Octanediaminium, N,N,N,N',N',N'-hexamethyl-1,8-Octanediaminium, N1,N1,N1,N8,N8,N8-hexamethyl-

Show more names

N,N,N,N'',N'',N''-Hexamethyloctane-1,8-diammoniumdiiodide14490-60-9

Database identifiers

CAS: 14490-60-9
PubChem CID: 19744
ChEMBL: CHEMBL1180335、CHEMBL122587
UNII: G66M3A5FR2
Nikkaji: J747.228E

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 9
Heavy atoms: 16
Formal charge: 2
Complexity: 143

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