Basic information
- CAS
18283-49-3- Standard SMILES
CCCCCCCCCCOC(=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(=O)OCCCCCCCCCC.[Cl-].[Cl-]- InChIKey
RGKGYKJXMRSWAO-UHFFFAOYSA-L- Molecular formula
- C34H70Cl2N2O4
- Average molar mass
- 641.8 g/mol
- Monoisotopic mass
- 640.4712641
Names & identifiers
- Preferred name
- Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, didecyl ester
- IUPAC
- (2-decoxy-2-oxoethyl)-[6-[(2-decoxy-2-oxoethyl)-dimethylazaniumyl]hexyl]-dimethylazanium dichloride
Names & synonyms
Preparation I-DHexamethylenebis((carboxymethyl)dimethylammonium), dichloride, didecyl ester18283-49-31,6-Hexanediamine, N,N'-dicarboxymethyl-N,N'-dimethyl-, dimethochloride, didecyl esterAMMONIUM, HEXAMETHYLENEBIS((CARBOXYMETHYL)DIMETHYL-, DICHLORIDE, DIDECYL ESTERRefChem:3193761,6-Hexanediaminium, N,N'-bis(2-(decyloxy)-2-oxoethyl)-N,N,N',N'-tetramethyl-, dichlorideDTXSID70939636N~1~,N~6~-Bis[2-(decyloxy)-2-oxoethyl]-N~1~,N~1~,N~6~,N~6~-tetramethylhexane-1,6-bis(aminium) dichloride
Database identifiers
- CAS
18283-49-3- PubChem CID
- 29016
- DTXSID
DTXSID70939636
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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