Basic information
- CAS
21954-73-4- Standard SMILES
CCCCCCCCCOC(=O)C[N+](C)(C)CC[N+](C)(C)CC(=O)OCCCCCCCCC.[Cl-].[Cl-]- InChIKey
GFQWDLPXDUZOLD-UHFFFAOYSA-L- Molecular formula
- C28H58Cl2N2O4
- Average molar mass
- 557.7 g/mol
- Monoisotopic mass
- 556.3773637
Names & identifiers
- Preferred name
- Ammonium, ethylenebis((carboxymethyl)dimethyl-, dichloride, dinonyl ester
- IUPAC
- 2-[dimethyl-(2-nonoxy-2-oxoethyl)azaniumyl]ethyl-dimethyl-(2-nonoxy-2-oxoethyl)azanium dichloride
Names & synonyms
21954-73-4Ethylenebis((carboxymethyl)dimethylammonium), dichloride, dinonyl esterAMMONIUM, ETHYLENEBIS((CARBOXYMETHYL)DIMETHYL-, DICHLORIDE, DINONYL ESTER1,2-Ethylenediamine, N,N'-dicarboxymethyl-N,N'-dimethyl-, dimethochloride, dinonyl esterRefChem:319361DTXSID30944549N~1~,N~1~,N~2~,N~2~-Tetramethyl-N~1~,N~2~-bis[2-(nonyloxy)-2-oxoethyl]ethane-1,2-bis(aminium) dichloride
Database identifiers
- CAS
21954-73-4- PubChem CID
- 30867
- DTXSID
DTXSID30944549
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 25
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 475
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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