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
    2.9154    1.1401    0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9908    0.4132   -0.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5367    0.6971   -0.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0599   -0.4850    0.2752 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.4125   -0.2464    0.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3111    0.2049   -0.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9122    1.3757   -0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345   -0.8312    1.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0214   -1.5435   -0.6922 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
    3.9784    0.9467    0.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5631    1.9829    0.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3215   -0.4255   -1.0658 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4186    1.5543    0.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1453    0.9328   -1.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7527   -1.1881    1.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3514    0.5047    1.5527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4858   -0.4118   -1.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7575    2.0219    0.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5935    1.7400   -1.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6216   -0.0611    2.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3178   -1.8132    1.8045 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7779   -0.9704    1.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0540   -1.9735   -0.6224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6808   -2.3737   -0.4573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0795   -1.1910   -1.7394 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