Basic information
- CAS
30271-46-6- Standard SMILES
CCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CC[N+](C)(C)CC(=O)OCCCCCCCCCCCCCCCC.[Cl-].[Cl-]- InChIKey
NRKQDSOIQNXSPP-UHFFFAOYSA-L- Molecular formula
- C42H86Cl2N2O4
- Average molar mass
- 754 g/mol
- Monoisotopic mass
- 752.5964646
Names & identifiers
- Preferred name
- Ammonium, ethylenebis((carboxymethyl)dimethyl-, dichloride, dihexadecyl ester
- IUPAC
- (2-hexadecoxy-2-oxoethyl)-[2-[(2-hexadecoxy-2-oxoethyl)-dimethylazaniumyl]ethyl]-dimethylazanium dichloride
Names & synonyms
30271-46-6Ethylenebis((carboxymethyl)dimethylammonium), dichloride, dihexadecyl ester1,2-Ethanediaminium, N,N'-bis(2-(hexadecyloxy)-2-oxoethyl)-N,N,N',N'-tetramethyl-, dichloride1,2-Ethylenediamine, N,N'-dicarboxymethyl-N,N'-dimethyl-, dimethochloride, dihexadecyl esterAMMONIUM, ETHYLENEBIS((CARBOXYMETHYL)DIMETHYL-, DICHLORIDE, DIHEXADECYL ESTERRefChem:319360DTXSID00952631N~1~,N~2~-Bis[2-(hexadecyloxy)-2-oxoethyl]-N~1~,N~1~,N~2~,N~2~-tetramethylethane-1,2-bis(aminium) dichloride
Database identifiers
- CAS
30271-46-6- PubChem CID
- 34867
- DTXSID
DTXSID00952631
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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