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
   -2.2641    1.9399    0.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8441    0.6916    0.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -0.0620   -0.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1850   -0.5101   -0.3278 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.6713    0.1945    0.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8946    0.7143   -0.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0854    0.3245    0.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1813   -1.9288    0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3171   -0.4412   -1.6854 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
   -2.4224    2.4791   -0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4798    2.5110    1.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7115    0.2269    1.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2764   -0.9284   -0.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379    0.5596   -1.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1486    1.0795    1.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9734   -0.4518    1.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    1.4177   -0.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2440   -0.3798    1.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9992    0.6982   -0.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7981   -2.3995   -0.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4245   -1.9576    1.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0045   -2.3970   -0.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3317   -1.1318   -2.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3569   -0.8081   -1.6825 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2074    0.5591   -2.1360 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