Dodecan-1,12-diylbis(benzyldimethylammonium)
Basic information
- CAS
765249-54-5- Standard SMILES
C[N+](C)(CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1)Cc1ccccc1- InChIKey
PEOZZIYWLBMIAK-UHFFFAOYSA-N- Molecular formula
- C30H50N2+2
- Average molar mass
- 438.7 g/mol
- Monoisotopic mass
- 438.3973996
Names & identifiers
- Preferred name
- Dodecan-1,12-diylbis(benzyldimethylammonium)
- IUPAC
- benzyl-[12-[benzyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
Names & synonyms
85EEP6AYZ7Dodecan-1,12-diylbis(benzyldimethylammonium)1,12-Dodecanediaminium, N,N,N',N'-tetramethyl-N,N'-bis(phenylmethyl)-N,N,N',N'-Tetramethyl-N,N'-bis(phenylmethyl)-1,12-dodecanediaminium765249-54-5
Database identifiers
- CAS
765249-54-5- PubChem CID
- 44150656
- UNII
- 85EEP6AYZ7
- Nikkaji
- J375.929F
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 17
- Heavy atoms
- 32
- Formal charge
- 2
- Complexity
- 402
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Compound notes
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