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
    1.9473    2.2266    0.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4733    1.0698    1.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5597   -0.1282    0.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2408   -0.6731   -0.0772 N   0  0  0  0  0  4  0  0  0  0  0  0
   -0.5881    0.4222   -0.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0221    0.1043   -0.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8866    0.7972    0.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3063   -1.1890    1.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4089   -1.7037   -1.0516 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
    1.8774    3.0856    1.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4061    2.3093   -0.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0280    1.0278    2.0745 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1225    0.1154   -0.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1881   -0.8977    0.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350    1.2545    0.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    0.7208   -1.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4050   -0.7243   -1.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9444    0.5619    0.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5521    1.6248    0.8204 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5044   -1.7494    1.6694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1094   -1.9391    0.9592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7026   -0.3737    1.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5166   -2.2681   -1.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8286   -1.2706   -1.9849 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1851   -2.4032   -0.6690 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