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
   -1.4415   -0.1584    3.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2352   -0.8548    1.8987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3645   -0.2324    0.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1425   -0.3027   -0.1950 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.7751    0.7638   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9357    1.7133   -1.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1317    1.8618   -1.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4248   -0.4101   -1.6171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4844   -1.5804    0.1698 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
   -1.3456   -0.6159    3.9721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7135    0.8942    2.9955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9677   -1.8983    2.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1525   -0.8393    0.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7745    0.7670    0.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4096    1.3523    0.8955 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7696    0.3924    0.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1583    2.3371   -1.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3418    2.5493   -2.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9871    1.2776   -1.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5798   -0.5181   -2.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9324    0.5066   -1.9334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0354   -1.3271   -1.8372 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3126   -1.7431   -0.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8803   -1.5223    1.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2357   -2.4127    0.0375 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