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
   -2.8053    1.2167    0.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5068    1.1808    0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6193    0.3106    0.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0028   -0.6266   -0.0240 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.0405   -0.0178   -0.8259 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6841    1.1340   -0.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9628    1.1171    0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5766   -1.7632    0.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0405   -1.1245   -0.9027 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
   -3.1811    0.5926    1.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4850    1.8476   -0.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1426    1.8015   -0.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2063   -0.3016    1.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1093    0.8769    1.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8185   -0.7461   -1.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5838    0.3218   -1.7969 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1008    1.9912    0.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5477    0.2586   -0.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4645    1.9440    0.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1777   -2.3308   -0.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1881   -1.4501    1.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2514   -2.4579    0.9636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0267   -0.5733   -1.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0555   -0.9840   -0.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9368   -2.2175   -1.0944 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