Basic information
- CAS
30100-41-5- Standard SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC.[Cl-].[Cl-]- InChIKey
ZHVSVGZRWKSGDU-UHFFFAOYSA-L- Molecular formula
- C42H90Cl2N2
- Average molar mass
- 694.1 g/mol
- Monoisotopic mass
- 692.6481063
Names & identifiers
- Preferred name
- N~1~,N~6~-Dihexadecyl-N~1~,N~1~,N~6~,N~6~-tetramethylhexane-1,6-bis(aminium) dichloride
- IUPAC
- hexadecyl-[6-[hexadecyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dichloride
Names & synonyms
30100-41-5DTXSID40952514N~1~,N~6~-Dihexadecyl-N~1~,N~1~,N~6~,N~6~-tetramethylhexane-1,6-bis(aminium) dichlorideRefChem:1093410DTXCID301380599Hexamethylenebis(dimethylhexadecylammonium), dichlorideN1,N6-Dihexadecyl-N1,N1,N6,N6-tetramethylhexane-1,6-diaminium chlorideAMMONIUM, HEXAMETHYLENEBIS(DIMETHYLHEXADECYL-, DICHLORIDE1,6-Hexanediamine, N,N'-dihexadecyl-N,N'-dimethyl-, dimethochloride
Database identifiers
- CAS
30100-41-5- PubChem CID
- 34813
- DTXSID
DTXSID40952514
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 37
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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