Basic information
- CAS
18277-77-5- Standard SMILES
CCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(=O)OCCCCCCCCCCCCCC.[Cl-].[Cl-]- InChIKey
DKKULVMFUDSLPF-UHFFFAOYSA-L- Molecular formula
- C42H86Cl2N2O4
- Average molar mass
- 754 g/mol
- Monoisotopic mass
- 752.5964646
Names & identifiers
- Preferred name
- Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, ditetradecyl ester
- IUPAC
- 6-[dimethyl-(2-oxo-2-tetradecoxyethyl)azaniumyl]hexyl-dimethyl-(2-oxo-2-tetradecoxyethyl)azanium dichloride
Names & synonyms
18277-77-5Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, ditetradecyl esterHexamethylenebis((carboxymethyl)dimethylammonium), dichloride, ditetradecyl ester1,6-Hexanediamine, N,N'-dicarboxymethyl-N,N'-dimethyl-, dimethochloride, ditetradecyl esterRefChem:319381DTXSID80939627N~1~,N~1~,N~6~,N~6~-Tetramethyl-N~1~,N~6~-bis[2-oxo-2-(tetradecyloxy)ethyl]hexane-1,6-bis(aminium) dichloride
Database identifiers
- CAS
18277-77-5- PubChem CID
- 29002
- DTXSID
DTXSID80939627
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 39
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 664
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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