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
   -2.5698    1.0938    0.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0075   -0.0925    0.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9709   -0.2855   -0.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2913   -0.6975   -0.0199 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.3010    0.3257    0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8613    1.6189    0.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4575    2.0993    1.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8060   -1.7583   -0.8639 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1748   -1.2356    1.3380 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
   -3.3521    1.2997    1.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2995    1.9444    0.0219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3037   -0.9122    1.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -1.0846   -1.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8536    0.6073   -1.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6846    0.5190   -1.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1877   -0.0252    0.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0744    2.2299    0.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2688    1.5621    2.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1728    3.0446    2.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7285   -1.4595   -1.4068 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0749   -2.0449   -1.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0105   -2.6879   -0.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4900   -2.1070    1.3473 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2262   -1.5342    1.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.4200    2.0066 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