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
    3.2463   -0.2154    0.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3480   -0.0503   -0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0324    0.5862    0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0797   -0.2694   -0.2772 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.0863    0.3992   -1.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7931    1.4211   -0.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0826    1.4075   -0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7104   -0.8159    0.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3861   -1.4094   -1.0687 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
    3.0189    0.1170    1.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1986   -0.6721    0.5547 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5791   -0.3845   -1.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0219    0.9253    1.0924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9626    1.4760   -0.6473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6233    0.9107   -1.9496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7839   -0.3637   -1.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1974    2.2163    0.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7610    0.6392   -0.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5605    2.1715    0.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0303   -0.0646    1.6273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0165   -1.5091    1.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5883   -1.4109    0.5497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4542   -2.1136   -1.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7876   -1.0960   -2.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1858   -1.8953   -0.4752 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