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
    2.9109    0.7680   -0.7678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1005    0.5863    0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6393    0.7620    0.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1035   -0.4230    0.5087 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.5271   -0.0608    0.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9376    0.1388   -0.9772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4104    1.3009   -1.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1178   -0.8909    1.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1763   -1.4453   -0.4804 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
    2.4799    1.0640   -1.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9739    0.6454   -0.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5390    0.2947    1.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3283    1.0715   -0.8417 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2955    1.5675    0.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1630   -0.8207    0.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6107    0.9027    0.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8564   -0.6717   -1.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5019    2.1121   -0.6652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7138    1.4626   -2.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5037   -0.3481    2.5978 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1668   -0.8682    2.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2273   -1.9610    1.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0858   -2.0313   -0.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3850   -0.9721   -1.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6435   -2.1834   -0.5788 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