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
    2.4552    0.1836    0.7947 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0709   -0.3095   -0.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7384   -0.7048   -0.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3446   -0.5807    0.1517 N   0  0  0  0  0  4  0  0  0  0  0  0
   -0.7623    0.7598    0.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3171    1.7737   -0.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2196    2.4818   -1.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1445   -1.2952    1.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4962   -1.2388   -0.5093 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
    3.5087    0.4360    0.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7881    0.3620    1.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8612   -0.4433   -1.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7923   -1.8061   -1.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4933   -0.2333   -1.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8712    0.7730    0.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4738    1.0264    1.5295 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7448    1.9485   -0.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2580    2.3284   -0.9503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9099    3.2162   -1.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2447   -0.6504    2.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8492   -1.8116    1.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9604   -2.0601    1.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9421   -0.4549   -1.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1264   -2.1164   -1.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2312   -1.5844    0.2616 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