Basic information
- CAS
18277-83-3- Standard SMILES
CCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(=O)OCCCCCCCCCCCCCCCC.[Cl-].[Cl-]- InChIKey
WQROWESFEHPGCA-UHFFFAOYSA-L- Molecular formula
- C46H94Cl2N2O4
- Average molar mass
- 810.2 g/mol
- Monoisotopic mass
- 808.6590649
Names & identifiers
- Preferred name
- Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dihexadecyl ester
- IUPAC
- (2-hexadecoxy-2-oxoethyl)-[6-[(2-hexadecoxy-2-oxoethyl)-dimethylazaniumyl]hexyl]-dimethylazanium dichloride
Names & synonyms
18277-83-3Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dihexadecyl esterHexamethylenebis((carboxymethyl)dimethylammonium), dichloride, dihexadecyl ester1,6-Hexanediamine, N,N'-dicarboxymethyl-N,N'-dimethyl-, dimethochloride, dihexadecyl esterRefChem:319378DTXSID40939628N~1~,N~6~-Bis[2-(hexadecyloxy)-2-oxoethyl]-N~1~,N~1~,N~6~,N~6~-tetramethylhexane-1,6-bis(aminium) dichloride
Database identifiers
- CAS
18277-83-3- PubChem CID
- 29004
- DTXSID
DTXSID40939628
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 43
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 720
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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