DIALLYLDIMETHYLAMMONIUM CHLORIDE WITH ACRYLAMIDE
General Information
| Mainterm | DIALLYLDIMETHYLAMMONIUM CHLORIDE WITH ACRYLAMIDE |
| CAS Reg.No.(or other ID) | 26590-05-6 |
| Regnum |
176.170 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 168563 |
| IUPAC Name | dimethyl-bis(prop-2-enyl)azanium;prop-2-enamide;chloride |
| InChI | InChI=1S/C8H16N.C3H5NO.ClH/c1-5-7-9(3,4)8-6-2;1-2-3(4)5;/h5-6H,1-2,7-8H2,3-4H3;2H,1H2,(H2,4,5);1H/q+1;;/p-1 |
| InChI Key | XFOSBZOUUACCCN-UHFFFAOYSA-M |
| Canonical SMILES | C[N+](C)(CC=C)CC=C.C=CC(=O)N.[Cl-] |
| Molecular Formula | C11H21ClN2O |
| Wikipedia | Polyquaternium-7 |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 232.752 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Complexity | 149.0 |
| CACTVS Substructure Key Fingerprint | A A A D c e B z I 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 g A Q A A A A C A D B g A Q C A A N A A A C I A C F S E A C A A A A A A A A I A A A I A E A A A A A A A Q A A A A A A E A C A A I 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 | 43.1 |
| Monoisotopic Mass | 232.134 |
| Exact Mass | 232.134 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| 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 | 3 |
From Pubchem