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
   -2.1391    2.0119    0.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9735    0.8762   -0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6588    0.5983   -0.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0553   -0.6081   -0.2515 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.3913   -0.5586   -0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0319   -0.1275    0.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7838    0.9603    0.9043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931   -1.7035   -1.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5267   -0.7995    1.0961 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
   -1.3347    2.7460    0.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0704    2.2482    0.9981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7865    0.1934   -0.1902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8808    0.5004   -1.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0175    1.4604   -0.6785 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7851   -1.5629   -0.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6350    0.1501   -1.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9134   -0.6693    1.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360    1.5481   -0.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2661    1.3000    1.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4668   -2.1029   -0.7614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2919   -2.4998   -1.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5772   -1.3315   -2.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5991   -1.1443    1.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0067   -1.6068    1.6345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4832    0.1214    1.6902 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