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
    2.2140    1.9323    0.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3509    1.0449    0.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3404   -0.3427    0.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0999   -0.7520   -0.2608 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.0358   -0.5887    0.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0059    0.4084    0.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2832    1.4815    0.8368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2511   -2.1761   -0.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1015   -0.1189   -1.5500 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
    2.9541    1.6658   -0.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1867    2.9471    0.7324 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6320    1.3710    1.5536 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1610   -0.5911   -0.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4808   -1.0377    1.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7527   -0.3126    1.6423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6148   -1.5519    0.7207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5013    0.2966   -0.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0003    2.2456    0.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8098    1.6324    1.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6223   -2.5035   -1.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1987   -2.2748   -1.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -2.6885    0.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0321   -0.5792   -1.9745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1905    0.9644   -1.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7232   -0.4726   -2.2107 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