Basic information
- CAS
27959-34-8- Standard SMILES
C[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)C- InChIKey
PUOAFIKQSLOKQZ-UHFFFAOYSA-N- Molecular formula
- C18H42N2+2
- Average molar mass
- 286.5 g/mol
- Monoisotopic mass
- 286.33479935
Names & identifiers
- Preferred name
- 1,12-Dodecanediaminium, N,N,N,N',N',N'-hexamethyl-
- IUPAC
- trimethyl-[12-(trimethylazaniumyl)dodecyl]azanium
Names & synonyms
1,12-Dodecanediaminium, N,N,N,N',N',N'-hexamethyl-DTXSID7027540527959-34-8RefChem:214145DTXCID70226851DodecamethoniumCHEMBL119701SCHEMBL6933263CHEMBL1179278BDBM50060533dodecane-1,12-bis(trimethylammonium bromide)1,12-Bis(trimethyl ammonium)dodecane dibromide
Show more names
trimethyl-[12-(trimethylammonio)dodecyl]ammonium1,12-bis-(trimethyl ammonium) dodecane dibromideN,N,N,N'',N'',N''-Hexamethyl-1,12-dodecane diaminium dibromideN,N,N,N'',N'',N''-Hexamethyldodecane-1,12-diammoniumdibromideN1,N1,N1,N12,N12,N12-hexamethyldodecane-1,12-diaminium bromideN~1~,N~1~,N~1~,N~12~,N~12~,N~12~-Hexamethyldodecane-1,12-bis(aminium)
Database identifiers
- CAS
27959-34-8- PubChem CID
- 38196
- DTXSID
DTXSID70275405- ChEMBL
CHEMBL1179278、CHEMBL119701- Nikkaji
- J471.913A
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 13
- Heavy atoms
- 20
- Formal charge
- 2
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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