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
    2.6254    1.3384    1.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4009    1.2756    0.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1177    0.2865   -0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0838   -0.6598    0.1466 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.0967   -0.0130    0.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6269    1.0399   -0.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8600    0.9131   -0.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3129   -1.3436   -1.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6066   -1.5582    1.1271 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
    3.4379    0.7035    0.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8293    2.0650    2.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250    1.9597    1.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8523    0.7727   -1.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0255   -0.3107   -0.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8689   -0.7931    0.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8808    0.3795    1.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0650    1.9259   -0.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5019    0.0790   -0.4531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2582    1.6822   -1.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4479   -2.0459   -1.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3262   -1.7741   -1.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4082   -0.5139   -1.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2859   -2.5851    0.8520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1595   -1.3270    2.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7080   -1.4966    1.2418 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