Basic information
- CAS
30100-40-4- Standard SMILES
CCCCCCCCOC(=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(=O)OCCCCCCCC.[Cl-].[Cl-]- InChIKey
NCCXDNVUJSSRKM-UHFFFAOYSA-L- Molecular formula
- C30H62Cl2N2O4
- Average molar mass
- 585.7 g/mol
- Monoisotopic mass
- 584.4086639
Names & identifiers
- Preferred name
- Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dioctyl ester
- IUPAC
- 6-[dimethyl-(2-octoxy-2-oxoethyl)azaniumyl]hexyl-dimethyl-(2-octoxy-2-oxoethyl)azanium dichloride
Names & synonyms
30100-40-4Hexamethylenebis((carboxymethyl)dimethylammonium) dichloride dioctyl ester1,6-Hexanediamine, N,N'-dicarboxymethyl-N,N'-dimethyl-, dimethochloride, dioctyl esterAMMONIUM, HEXAMETHYLENEBIS((CARBOXYMETHYL)DIMETHYL-, DICHLORIDE, DIOCTYL ESTERRefChem:319380DTXSID80952513N~1~,N~1~,N~6~,N~6~-Tetramethyl-N~1~,N~6~-bis[2-(octyloxy)-2-oxoethyl]hexane-1,6-bis(aminium) dichloride
Database identifiers
- CAS
30100-40-4- PubChem CID
- 34811
- DTXSID
DTXSID80952513
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 27
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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