chempirical

Polyquaternium 1

C22H48N3O63+CAS 75345-27-6450.64 g/mol

Open in Covalent MOL file
N+N+OHHOHON+OHHOOH
AlcoholAlkeneQuaternary ammonium

Properties

Molecular formula
C22H48N3O63+
Molar mass
450.64 g/mol
Exact mass
450.3543 Da
logP
-2.24Crippen estimate
Polar surface area
121.4 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
20

Identifiers

CAS number
75345-27-6
SMILES
C[N+](C)(CC=CC[N+](CCO)(CCO)CCO)CC=CC[N+](CCO)(CCO)CCO
InChIKey
YOANRIBNDKBHCR-UHFFFAOYSA-N
InChI
InChI=1S/C22H48N3O6/c1-23(2,7-3-5-9-24(11-17-26,12-18-27)13-19-28)8-4-6-10-25(14-20-29,15-21-30)16-22-31/h3-6,26-31H,7-22H2,1-2H3/q+3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Poly[(dimethyliminio)-2-butene-1,4-diyl chloride (1:1)], α-[4-[tris(2-hydroxyethyl)ammonio]-2-buten-1-yl]-ω-[tris(2-hydroxyethyl)ammonio]-, chloride (1:2)
  • Poly[(dimethyliminio)-2-butene-1,4-diyl chloride], α-[4-[tris(2-hydroxyethyl)ammonio]-2-butenyl]-ω-[tris(2-hydroxyethyl)ammonio]-, dichloride
  • Onamer M
  • Polyquad
  • Onyxsperse 12S
  • Polidronium chloride
  • Polyquat 1

Work with Polyquaternium 1

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Choline62-49-738 % similar Choline hydroxide123-41-134 % similar Trimethyl(2-hydroxyethyl)ammonium iodide17773-10-334 % similar Trimethyl(2-hydroxyethyl)ammonium bromide1927-06-634 % similar Choline chloride67-48-134 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook