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
    2.7425    0.7681   -0.8282 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9585    0.4184    0.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2344   -0.8398    0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1920   -0.7300    0.1680 N   0  0  0  0  0  4  0  0  0  0  0  0
   -0.6762    0.3303    1.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8659    1.5822    0.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0238    2.1949    0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7026   -1.9881    0.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7524   -0.5661   -1.1604 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
    2.8785    0.1591   -1.7149 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3111    1.7090   -0.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8798    1.0832    1.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5921   -1.4701    0.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4798   -1.3613   -0.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6899    0.0167    1.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0795    0.4842    1.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0049    1.9939   -0.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1214    3.1043   -0.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9089    1.7657    0.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8021   -1.9552    0.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1469   -2.1882    1.6273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4021   -2.7682   -0.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8487    0.4735   -1.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7611   -1.0586   -1.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1081   -1.1580   -1.8459 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