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
   -2.8575    0.9680    1.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5792    0.6580    1.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0411   -0.5458    0.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0312   -0.1711   -0.6242 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.0332    0.5984   -0.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6822   -0.0850    1.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9862   -0.3686    1.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5378   -1.3894   -1.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6917    0.6235   -1.6093 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
   -3.5408    0.3454    0.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2280    1.8347    1.5112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9257    1.3270    1.6335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5763   -1.2609    1.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8765   -0.9866   -0.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7832    0.7845   -0.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6877    1.6107    0.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1180   -0.3726    1.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5789   -0.0916    0.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4873   -0.8659    1.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6381   -1.2862   -1.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4371   -2.2004   -0.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0279   -1.7637   -2.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1248    0.7287   -2.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7975    1.6541   -1.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7271    0.2547   -1.7758 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