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
    3.0437    0.6455   -0.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1881   -0.3443   -0.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7710   -0.2299   -0.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1170   -0.4560    0.2815 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.4899   -0.4332   -0.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8394    0.7388   -0.9506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7786    1.5744   -0.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1118    0.5550    1.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1190   -1.7782    0.8661 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
    4.0560    0.5271   -0.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7261    1.5807   -0.9398 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5223   -1.2810    0.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5866    0.8141   -1.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6143   -0.9597   -1.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6595   -1.3980   -0.7065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1172   -0.5280    0.7671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3282    0.9268   -1.8779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3374    1.4425    0.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0433    2.4439   -1.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1449    0.4640    1.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6415    0.4950    2.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0746    1.5388    0.7616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8967   -1.7686    1.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3284   -2.4859    0.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8315   -2.0842    1.3580 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