| CAS Number | 31512-74-0 |
| Catalog Number | AG00CI1B(AGN-PC-0R6VZK) |
| Chemical Name | Polixetonium chloride |
| IUPAC Name | 2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium;dichloride |
| InChI | InChI=1S/C12H30N2O.2ClH/c1-7-8-13(2,3)9-10-14(4,5)11-12-15-6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2 |
| InChI Key | AKMCUEHNXUJTGW-UHFFFAOYSA-L |
| MDL Number | MFCD00867817 |
| Molecular Formula | C10H24ClN2O |
| Molecular Weight | 223.7634 |
| SMILES | *CC[N+](C)(C)CC[N+](C)(C)CCO*.[Cl-] |
| Synonyms | MBC 115,
MBC-115,
poly(oxyethylene(dimethyliminio)ethylene(dimethyliminio)ethylene dichloride),
31512-74-0,
Polyquaternium 42,
POLIXETONIUM CHLORIDE,
Poly[oxyethylene(dimethyliminio)ethylene(dimethylimino)ethylene dichloride],
Polyquats-GreatAp126,
AKMCUEHNXUJTGW-UHFFFAOYSA-L,
Poly(oxyethylene(dimethyliminio)ethylene(dimethyliminio)ethylene dichloride,
Poly[oxy-1,2-ethanediyl(dimethyliminio)-1,2-ethanediyl(dimethyliminio)-1,2-ethanediyl dichloride],
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.285g/mol |
| Monoisotopic Mass | 288.174g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number