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
   -2.5959    1.0843    1.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0596    0.4744    0.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6490    0.6561   -0.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0779   -0.5794   -0.3210 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.4397   -0.4322    0.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0480    0.8473   -0.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4666    1.6696    0.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5477   -1.5778    0.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0533   -1.1326   -1.6748 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
   -3.6250    0.9368    1.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9670    1.7493    1.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6822   -0.1883   -0.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1490    1.4578    0.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6797    1.0597   -1.3965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4188   -0.5668    1.2598 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0182   -1.2822   -0.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1784    1.1672   -1.2094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9260    2.6324    0.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3617    1.4001    1.8266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5996   -1.7426    0.2954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3970   -1.2317    1.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0365   -2.5230    0.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3188   -0.4050   -2.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0227   -1.4072   -1.8530 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6305   -2.0662   -1.6844 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