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
   -3.1666    0.8131    0.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8798    0.7855    0.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8688    0.8069   -0.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0157   -0.3505   -0.2007 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.2055   -0.0463   -0.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0948    0.8605   -0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3244    0.4982    0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2347   -0.8954    1.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7075   -1.3782   -0.9947 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
   -3.9209    0.7982    1.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5103    0.8514   -0.4457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5336    0.7474    1.9011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2536    1.7511   -0.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3307    0.8707   -1.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8945    0.4776   -1.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6938   -0.9701   -1.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7722    1.8550    0.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6867   -0.4820   -0.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9989    1.1513    0.7048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7101   -1.0974    1.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8860   -0.2651    1.7186 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7274   -1.8985    0.9345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7105   -1.5508   -0.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0837   -2.3104   -0.9560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8269   -1.0223   -2.0453 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