Monomers

Diallyldimethylammonium chloride

Identifiers

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
SMILES
C=CC[N+](CC=C)(C)C.[Cl-]
Canonical SMILES
C[N+](C)(CC=C)CC=C.[Cl-]
Isomeric SMILES
C[N+](C)(CC=C)CC=C.[Cl-]
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H16ClN
Heavy Atom Count
10
Molecular Weight
161.676
Exact Molecular Weight
161.0971
Valence Electrons
60
Radical Electrons
0
tPSA
0.0
MolLogP
-1.5612
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 26 24  0  0  0  0  0  0  0  0999 V2000
   -3.3957    0.4302    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3882   -0.3161   -0.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1412   -0.3555    0.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0067    0.1108   -0.3209 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.0799    0.4902    0.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -0.5941    0.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3643   -0.4230    0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3052    1.2630   -1.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4815   -0.9692   -1.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0 15  0  0  0  0  0  0
   -4.3425    0.5153   -0.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3258    1.0179    0.9879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5186   -0.8714   -1.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2880    0.2122    1.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9713   -1.4448    0.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6545    0.7821    1.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6165    1.4062    0.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7220   -1.5400    1.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6872    0.5291    0.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0622   -1.2373    0.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6462    1.5899   -1.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5923    2.0889   -0.4251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0489    1.0815   -1.9083 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5419   -1.8962   -0.5271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1661   -1.1209   -2.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5416   -0.7488   -1.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  4  8  1  0
  4  9  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  5 16  1  0
  5 17  1  0
  6 18  1  0
  7 19  1  0
  7 20  1  0
  8 21  1  0
  8 22  1  0
  8 23  1  0
  9 24  1  0
  9 25  1  0
  9 26  1  0
M  CHG  2   4   1  10  -1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers