Basic information
- CAS
21954-75-6- Standard SMILES
CCCCCCCCCCCCOC(=O)C[N+](C)(C)CC[N+](C)(C)CC(=O)OCCCCCCCCCCCC.[Cl-].[Cl-]- InChIKey
CZJNDZLTGJKZIX-UHFFFAOYSA-L- Molecular formula
- C34H70Cl2N2O4
- Average molar mass
- 641.8 g/mol
- Monoisotopic mass
- 640.4712641
Names & identifiers
- Preferred name
- Ammonium, ethylenebis((carboxymethyl)dimethyl-, dichloride, didodecyl ester
- IUPAC
- (2-dodecoxy-2-oxoethyl)-[2-[(2-dodecoxy-2-oxoethyl)-dimethylazaniumyl]ethyl]-dimethylazanium dichloride
Names & synonyms
21954-75-6Ethylenebis((carboxymethyl)dimethylammonium), dichloride, didodecyl ester1,2-Ethylenediamine, N,N'-dicarboxymethyl-N,N'-dimethyl-, dimethochloride, didodecyl esterAMMONIUM, ETHYLENEBIS((CARBOXYMETHYL)DIMETHYL-, DICHLORIDE, DIDODECYL ESTERRefChem:319359(2-dodecoxy-2-oxoethyl)-[2-[(2-dodecoxy-2-oxoethyl)-dimethylazaniumyl]ethyl]-dimethylazanium;dichlorideSCHEMBL28551927DTXSID00944551AKOS030523266N1,N2-bis(2-(dodecyloxy)-2-oxoethyl)-N1,N1,N2,N2-tetramethylethane-1,2-diaminium chlorideN~1~,N~2~-Bis[2-(dodecyloxy)-2-oxoethyl]-N~1~,N~1~,N~2~,N~2~-tetramethylethane-1,2-bis(aminium) dichloride
Database identifiers
- CAS
21954-75-6- PubChem CID
- 30871
- DTXSID
DTXSID00944551
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 31
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 555
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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