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
   -2.9451    0.0512    1.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8475    0.6700    0.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2956    0.4524   -0.6537 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0364   -0.0950   -0.6244 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.9123    0.8290    0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5601    0.2961    1.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8737    0.2260    1.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4305   -0.2864   -2.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0530   -1.4121   -0.0271 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
   -3.4671   -0.6227    0.3874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3789    0.1776    2.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3602    1.3315    1.4139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2133    1.4650   -1.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9927   -0.1379   -1.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6746    1.1655   -0.7072 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3420    1.7469    0.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9669   -0.0369    2.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5421    0.5408    0.5116 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3710   -0.1693    2.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1129   -1.2671   -2.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5072   -0.1132   -2.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.4716   -2.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3632   -1.4425    0.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5251   -2.0833   -0.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0894   -1.7571    0.0113 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