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
   -3.0068    0.4255    0.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0359   -0.4682    0.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6312   -0.0706    0.8101 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2751   -0.5831   -0.1942 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.5881   -0.0379    0.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5685    1.2469    0.7669 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0801    2.3391    0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3721   -2.0256   -0.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2664   -0.2246   -1.4924 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
   -4.0200    0.1798    0.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7299    1.4724    0.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3318   -1.5135    0.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5891    1.0450    0.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3131   -0.3311    1.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1788   -0.7762    0.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0788    0.0871   -0.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379    1.3295    1.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5141    2.2996   -0.7830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0840    3.2972    0.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5516   -2.5341   -0.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345   -2.3073   -0.8209 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6809   -2.3921    0.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5092   -0.1905   -2.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0315   -1.0033   -1.7334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7949    0.7361   -1.3999 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