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
   -3.0594   -0.7462    0.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7571   -0.8843    0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7920   -0.1299    0.8475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    0.6080   -0.0240 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.6407   -0.2014   -1.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4175   -1.3336   -0.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6983   -1.5019   -0.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6726    1.6904   -0.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1944    1.1209    0.7497 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
   -3.7335   -1.3168   -0.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4793   -0.0271    0.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3445   -1.6183   -0.6751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3903    0.6259    1.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2581   -0.7483    1.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3575    0.4769   -1.6335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1063   -0.4984   -1.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8933   -2.0587    0.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2390   -0.8039   -1.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2391   -2.3485   -0.4139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2154    2.6725   -0.3498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7437    1.6614   -0.3544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6101    1.6470   -1.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8590    0.2634    0.9797 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034    1.6153    1.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7408    1.8358    0.0989 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