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
    2.9789    0.4035    0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883    0.6835    0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6729   -0.0743    0.7569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3157   -0.6966   -0.0772 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.3954    0.1957   -0.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6012    1.2772    0.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4955    2.5485    0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2681   -1.1913   -1.3168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8155   -1.8670    0.6331 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
    3.7414    0.9432   -0.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2976   -0.4215    0.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3702    1.5055   -0.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1635   -0.8782    1.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1466    0.5661    1.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2143    0.6017   -1.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3473   -0.4032   -0.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8446    1.0367    1.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6541    3.3132    0.9451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2543    2.8674   -0.8096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0425   -2.2222   -1.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0842   -0.5758   -2.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3758   -1.0581   -1.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0668   -2.3343    1.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5153   -1.5757    1.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1903   -2.6440   -0.0634 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