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
    2.9388    1.0637    0.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101   -0.0109    0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0560    0.0970   -0.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0600   -0.5822   -0.0252 N   0  0  0  0  0  4  0  0  0  0  0  0
   -0.8067    0.2834    0.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1161    0.6740    0.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3857    1.9431    0.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3008   -1.7749    0.6709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9480   -0.9751   -1.1293 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
    3.8683    1.0165    1.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5181    2.0471    0.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7464   -0.9792    0.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2308   -0.3361   -1.6631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7562    1.1488   -0.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.2561    1.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2221    1.1769    1.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8445   -0.0687    0.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3445    2.2837   -0.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6684    2.7347    0.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4294   -1.5258    1.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1857   -2.2934    0.2801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6043   -2.4506    0.6531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2913   -1.6008   -1.8021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2420   -0.0315   -1.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861   -1.5835   -0.7919 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