N,N,N',N'-TETRAMETHYLETHYLENEDIAMINE-BIS-(2-CHLOROETHYL) ETHER COPOLYMER
General Information
| Mainterm | N,N,N',N'-TETRAMETHYLETHYLENEDIAMINE-BIS-(2-CHLOROETHYL) ETHER COPOLYMER |
| CAS Reg.No.(or other ID) | 31075-24-8 |
| Regnum |
176.170 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 131698512 |
| IUPAC Name | 2-[dimethyl(propyl)azaniumyl]ethyl-[2-[2-[2-[2-[2-[2-[2-methoxyethyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]ethoxy]ethyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]ethoxy]ethyl]-dimethylazanium;hexachloride |
| InChI | InChI=1S/C32H78N6O3.6ClH/c1-15-16-33(2,3)17-18-35(6,7)24-29-40-31-26-37(10,11)21-22-38(12,13)27-32-41-30-25-36(8,9)20-19-34(4,5)23-28-39-14;;;;;;/h15-32H2,1-14H3;6*1H/q+6;;;;;;/p-6 |
| InChI Key | SNYCLWKGTKXLPX-UHFFFAOYSA-H |
| Canonical SMILES | CCC[N+](C)(C)CC[N+](C)(C)CCOCC[N+](C)(C)CC[N+](C)(C)CCOCC[N+](C)(C)CC[N+](C)(C)CCOC.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-] |
| Molecular Formula | C32H78Cl6N6O3 |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 807.715 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 26 |
| Complexity | 680.0 |
| CACTVS Substructure Key Fingerprint | A A A D c f B / s A A H A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A H g A A A A A A C A D h g A Y C A A M A B A A A A A A A A A A A A A A A A A A A A A A I A A A C Q A A A A A A X A A A A A A C Q A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 27.7 |
| Monoisotopic Mass | 804.427 |
| Exact Mass | 806.424 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 47 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 7 |
From Pubchem