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
   -3.1463    0.7211    0.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1942    0.1812   -0.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7705    0.6563   -0.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0810   -0.4183    0.1674 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.3629    0.0202    0.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8662    1.2422    0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0191    1.2083   -0.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3302   -1.2706   -0.9772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5594   -1.1742    1.2296 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
   -4.1558    0.3464    0.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9641    1.5330    1.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4724   -0.6277   -0.9641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5139    0.9431   -1.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    1.5097    0.4463 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0623   -0.8330    0.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2660    0.1678    1.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3332    2.1712    0.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4468    2.1076   -1.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6189    0.3043   -0.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5360   -1.3766   -1.6377 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1789   -0.9030   -1.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5852   -2.3006   -0.6177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897   -0.7044    1.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7226   -2.2287    0.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0993   -1.2755    2.1290 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