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
    3.2422    0.5758    0.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0220    0.8393   -0.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1975   -0.2431   -0.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0752   -0.3268   -0.1966 N   0  0  0  0  0  4  0  0  0  0  0  0
   -0.9111    0.6861   -0.7455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2601    0.8399   -0.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8338    0.1378    0.7425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5297   -1.6634   -0.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1632   -0.0066    1.1978 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
    3.6047   -0.4351    0.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7997    1.4295    0.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6257    1.8458   -0.4384 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9275   -0.0091   -1.9896 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6862   -1.2390   -0.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9985    0.5048   -1.8513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3895    1.6618   -0.6565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8644    1.6241   -0.6633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3287   -0.6740    1.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8626    0.4115    0.9965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5623   -1.7728   -0.7119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5348   -2.1400    0.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1942   -2.2794   -0.9088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0190   -0.9097    1.8369 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    0.2987    1.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5018    0.8438    1.5315 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