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
   -1.7526    1.9484    0.8356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6877    0.6273    0.7676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0806   -0.0341   -0.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0501   -0.8744   -0.0817 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.3005   -0.1632   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2711    1.0718    0.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5715    2.2171    0.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1220   -1.7401    1.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1860   -1.7597   -1.2453 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
   -2.2070    2.4760    1.6861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3622    2.6039    0.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1019    0.0629    1.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8597   -0.7091   -0.8335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7822    0.6540   -1.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0227   -0.8631    0.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7527    0.0039   -1.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0114    1.0816    1.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8437    2.2869   -0.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5634    3.1759    0.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6180   -1.3008    1.9024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8772   -2.0944    1.3799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6857   -2.6807    0.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0836   -2.3899   -1.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6863   -2.4114   -1.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4119   -1.1889   -2.1641 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