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
    3.3139    0.5118   -0.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0720    0.9327   -0.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1568    0.4363    0.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0051   -0.2384    0.0671 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.1714    0.3671    0.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4393   -0.1203    0.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2529    0.7495   -0.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0268   -0.2274   -1.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0787   -1.6324    0.4795 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
    4.0348    0.8532   -1.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7383   -0.2142    0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7232    1.6412   -1.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8674    1.3330    1.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7188   -0.2173    1.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0913    1.4505    0.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1541    0.1126    1.7399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7608   -1.1543    0.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0235    1.8166   -0.5665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1986    0.4487   -0.9215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7579   -1.0150   -1.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690   -0.6119   -1.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2095    0.7508   -1.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1635   -1.7426    1.5662 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0110   -2.0328   -0.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7563   -2.1974    0.0334 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