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
   -3.1072    0.8285   -0.6795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0752    0.1310   -1.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6658    0.5348   -0.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0548   -0.4681   -0.1357 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.4961   -0.4259   -0.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0102    0.9415   -0.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9472    1.3727    0.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1649   -0.2967    1.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3588   -1.8210   -0.4597 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
   -4.1178    0.5199   -0.8743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9213    1.7240   -0.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2135   -0.7895   -1.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1529    0.7547   -1.8401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6879    1.4577   -0.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9635   -1.0197    0.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6221   -0.9971   -1.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6220    1.6158   -1.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3452    0.7016    1.0886 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3601    2.3751    0.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4769   -0.9840    1.8783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2401   -0.4696    1.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0179    0.7774    1.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1845   -1.9419   -1.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4014   -2.0237   -0.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3752   -2.4976    0.0264 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