POLY(DIALLYLDIMETHYLAMMONIUM CHLORIDE)
General Information
| Mainterm | POLY(DIALLYLDIMETHYLAMMONIUM CHLORIDE) |
| CAS Reg.No.(or other ID) | 26062-79-3 |
| Regnum |
176.170 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 33286 |
| IUPAC Name | dimethyl-bis(prop-2-enyl)azanium;chloride |
| InChI | InChI=1S/C8H16N.ClH/c1-5-7-9(3,4)8-6-2;/h5-6H,1-2,7-8H2,3-4H3;1H/q+1;/p-1 |
| InChI Key | GQOKIYDTHHZSCJ-UHFFFAOYSA-M |
| Canonical SMILES | C[N+](C)(CC=C)CC=C.[Cl-] |
| Molecular Formula | C8H16ClN |
| Wikipedia | PolyDADMAC |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 161.673 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Complexity | 91.1 |
| CACTVS Substructure Key Fingerprint | A A A D c e B y A A A E 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 A A A A A A A C A D B A A Q C A A M A A A C A A C B C A A C A A A A A A A A I A A A I A A A A A A A A A Q A A A A A A A A C 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 = = |
| Topological Polar Surface Area | 0.0 |
| Monoisotopic Mass | 161.097 |
| Exact Mass | 161.097 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| 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 | 2 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Quaternary ammonium salts |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetraalkylammonium salts |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Amine - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains. |
From ClassyFire