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
    2.5015    1.7525    0.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9524    0.8588   -0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4990    0.6704   -0.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0586   -0.6657   -0.0788 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.1029   -0.5037    0.7924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1397    0.2048   -0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6027    1.3792    0.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0934   -1.4503    0.5525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4129   -1.4043   -1.2387 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
    1.8732    2.4047    1.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5621    1.8858    0.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6156    0.2452   -0.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0071    1.4549    0.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1293    0.8514   -1.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8378    0.0841    1.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5072   -1.4896    1.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5185   -0.2241   -0.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2277    1.8306    1.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3443    1.8717   -0.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6220   -2.0593   -0.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6647   -2.1278    1.3226 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7883   -0.7740    1.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7519   -0.6867   -2.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3597   -2.0732   -1.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2812   -2.0356   -0.9622 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