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
    2.5924    1.6717   -0.7585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2011    0.7400    0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3957   -0.3946   -0.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1069   -0.4891    0.3008 N   0  0  0  0  0  4  0  0  0  0  0  0
   -0.8343    0.2926   -0.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0347    0.6777    0.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2299    0.2924   -0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1488   -0.0482    1.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2469   -1.9033    0.3059 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
    3.1891    2.5387   -0.5025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2985    1.5675   -1.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5258    0.8924    1.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1956   -0.3232   -1.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9567   -1.3665   -0.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1030   -0.3351   -1.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2608    1.1578   -0.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9713    1.2795    1.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3665   -0.3195   -1.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1193    0.5686    0.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0213    1.0507    1.7099 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0939   -0.2943    2.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6652   -0.5117    2.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6940   -2.4475    0.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9664   -2.0667    1.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5789   -2.2301   -0.6994 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