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
   -3.3631    0.3721    0.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1192    0.4810    0.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9624    0.7724   -0.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0333   -0.2752   -0.1018 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.1467    0.0428    0.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0383    1.0676    0.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3143    0.7826    0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4806   -0.5906   -1.4457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5371   -1.5201    0.4389 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
   -3.5239    0.5070   -0.7618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2146    0.1638    0.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9453    0.3491    1.7974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5128    1.7787    0.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3340    0.8740   -1.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -0.9019    0.9256 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7002    0.3224    1.7530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6497    2.0520    0.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7178   -0.1984    0.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0078    1.5176   -0.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3411   -1.2654   -1.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379    0.2961   -2.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3645   -1.1813   -1.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5830   -1.6152    0.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1077   -2.3360    0.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4196   -1.4950    1.5495 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