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
   -3.0298    0.5666    0.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0901    0.0939   -0.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6935    0.5475   -0.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1949   -0.5660   -0.1110 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.5627   -0.1432   -0.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9534    0.9634    0.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3786    2.1299    0.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0482   -1.6480   -1.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0912   -1.0309    1.2182 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
   -2.7686    1.3125    1.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0517    0.2375    0.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3910   -0.6341   -1.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6272    1.2322    0.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4182    1.0343   -1.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2048   -1.0418   -0.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6708    0.1655   -1.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8944    0.8287    1.6764 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4438    2.2824   -0.8991 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6532    2.9096    0.8537 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1234   -1.2239   -2.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7452   -2.4164   -0.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0283   -2.1171   -0.9338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1627   -1.3207    1.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5005   -1.9379    1.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0749   -0.2239    1.9752 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