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
   -2.8614    1.4287   -0.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3254    0.2563   -0.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3476    0.1095    0.6317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0585   -0.3880    0.1916 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.8336    0.7422    0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1211    0.4772   -0.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2210    0.6647    0.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4394   -1.2756    1.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1327   -1.1467   -1.0212 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
   -2.5760    2.3245   -0.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5794    1.5273   -1.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6391   -0.5872   -1.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2409    1.0759    1.1674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8002   -0.5892    1.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3040    1.5113   -0.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9439    1.1402    1.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1956    0.1274   -1.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1921    1.0132    1.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1762    0.4696   -0.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1599   -2.0223    0.7868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4393   -1.8926    1.5505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9085   -0.7450    2.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0235   -1.8330   -0.9163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2047   -0.5311   -1.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7335   -1.8575   -1.0489 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