Basic information
- CAS
66967-72-4- Standard SMILES
CC(CC1C(C)CCCC1(C)C)C[N+](C)(C)CC(=O)NCCCCCCNC(=O)C[N+](C)(C)CC(C)CC1C(C)CCCC1(C)C.[Cl-].[Cl-]- InChIKey
LVKYVGYWKVHOJX-UHFFFAOYSA-N- Molecular formula
- C40H80Cl2N4O2
- Average molar mass
- 720 g/mol
- Monoisotopic mass
- 718.5658332
Names & identifiers
- Preferred name
- Ammonium, hexamethylenebis(iminocarbonylmethylene)bis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dichloride
- IUPAC
- [2-[6-[[2-[dimethyl-[2-methyl-3-(2,2,6-trimethylcyclohexyl)propyl]azaniumyl]acetyl]amino]hexylamino]-2-oxoethyl]-dimethyl-[2-methyl-3-(2,2,6-trimethylcyclohexyl)propyl]azanium dichloride
Names & synonyms
66967-72-4Ammonium, hexamethylenebis(iminocarbonylmethylene)bis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dichlorideRefChem:319395
Database identifiers
- CAS
66967-72-4- PubChem CID
- 48638
Properties
Computed structural properties
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 852
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…