Basic information
- CAS
7439-75-0- Standard SMILES
CCCCCCCOC(=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(=O)OCCCCCCC.[Cl-].[Cl-]- InChIKey
YJTZXPXLHXZXCR-UHFFFAOYSA-L- Molecular formula
- C28H58Cl2N2O4
- Average molar mass
- 557.7 g/mol
- Monoisotopic mass
- 556.3773637
Names & identifiers
- Preferred name
- Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, diheptyl ester
- IUPAC
- (2-heptoxy-2-oxoethyl)-[6-[(2-heptoxy-2-oxoethyl)-dimethylazaniumyl]hexyl]-dimethylazanium dichloride
Names & synonyms
7439-75-0Hexamethylenebis((carboxymethyl)dimethylammonium) dichloride diheptyl ester1,6-Hexanediamine, N,N'-dicarboxymethyl-N,N'-dimethyl-, dimethochloride, diheptyl esterAMMONIUM, HEXAMETHYLENEBIS((CARBOXYMETHYL)DIMETHYL-, DICHLORIDE, DIHEPTYL ESTERRefChem:319377DTXSID40995906N~1~,N~6~-Bis[2-(heptyloxy)-2-oxoethyl]-N~1~,N~1~,N~6~,N~6~-tetramethylhexane-1,6-bis(aminium) dichloride
Database identifiers
- CAS
7439-75-0- PubChem CID
- 23922
- DTXSID
DTXSID40995906
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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