Basic information
- CAS
3818-69-7- Standard SMILES
CCCCCCCCCCCCOC(=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(=O)OCCCCCCCCCCCC.[Cl-].[Cl-]- InChIKey
XINQFOMFQFGGCQ-UHFFFAOYSA-L- Molecular formula
- C38H78Cl2N2O4
- Average molar mass
- 697.9 g/mol
- Monoisotopic mass
- 696.5338644
Overview
RN given refers to dichloride; see also record for ethonium
Names & identifiers
- Preferred name
- Dodeconium
- IUPAC
- (2-dodecoxy-2-oxoethyl)-[6-[(2-dodecoxy-2-oxoethyl)-dimethylazaniumyl]hexyl]-dimethylazanium dichloride
- English name
- dodeconium
- Molecular formula
- C38H78N2O4.2Cl
- Molecular weight
- 697.95
Names & synonyms
Dodeconium1,6-Hexanediamine, N,N'-bis(2-(dodecyloxy)-2-oxoethyl)-N,N,N',N'-tetramethyl-dodoniumRefChem:1354733818-69-7Preparation CPreparation S(2-dodecoxy-2-oxoethyl)-[6-[(2-dodecoxy-2-oxoethyl)-dimethylazaniumyl]hexyl]-dimethylazanium;dichlorideN~1~,N~6~-Bis[2-(dodecyloxy)-2-oxoethyl]-N~1~,N~1~,N~6~,N~6~-tetramethylhexane-1,6-bis(aminium) dichloridePreparation C (the Russian Drug)Hexamethylen-1,6-(N-dimethylcarbodesoxymethyl)ammonium dichlorideHexamethylenebis((carboxymethyl)dimethylammonium), dichloride, didodecyl ester
Show more names
1,6-Hexanediamine, N,N'-dicarboxymethyl-N,N'-dimethyl-, dimethochloride, didodecyl ester1,6-Hexanediaminium, N,N'-bis(2-(dodecyloxy)-2-oxoethyl)-N,N,N',N'-tetramethyl-, dichlorideDTXSID40959109AMMONIUM, HEXAMETHYLENEBIS((CARBOXYMETHYL)DIMETHYL-, DICHLORIDE, DIDODECYL ESTERdichloride hexamethylene-1,6-(N-dimethylcarbdodecyloxymethyl)ammonium
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 35
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 609
Chemistry & industry
Suppliers1 total
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…