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
   -3.0030   -1.2840    0.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8361   -1.1543   -0.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3209    0.1747   -0.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0534    0.4890    0.0335 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.7516   -0.6907    0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665   -0.3690    0.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1059   -0.8021   -0.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3256    1.0160    1.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5751    1.5236   -0.7235 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
   -3.6337   -0.4140    0.6147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4302   -2.2387    0.6584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2584   -2.0313   -0.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1194    0.1690   -1.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0921    0.9567   -0.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3785   -1.2501    1.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6615   -1.3785   -0.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4568    0.2257    1.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1577   -0.5801   -0.2605 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8558   -1.4002   -1.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3679    0.1956    2.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4399    1.7500    1.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2891    1.5681    1.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3730    2.5141   -0.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1313    1.5830   -1.7548 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6765    1.4277   -0.7956 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