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
    3.4019   -0.4759    0.7665 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2177   -0.9589    0.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9640   -0.6497    1.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0213   -0.0123    0.3096 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.3168   -0.7001    0.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2738    0.0720   -0.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3771    0.6113   -0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2165    1.3811    0.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4445   -0.0455   -1.0590 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
    3.4687    0.1831    1.6199 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3080   -0.7140    0.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1793   -1.6260   -0.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5019   -1.5781    1.5605 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    0.0149    1.9892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7161   -0.7182    1.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1651   -1.7070   -0.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0659    0.2097   -1.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6145    0.4986    1.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0354    1.1564   -0.6528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7823    1.8453    0.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7533    1.4056    1.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7086    1.9382   -0.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3686   -1.0894   -1.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0836    0.6782   -1.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5191    0.2808   -1.0373 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