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
    2.1306    2.0040    0.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0323    1.5753    0.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0398    0.5091   -0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2212   -0.6389   -0.3414 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.1551   -0.4771   -0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0717   -0.2410    0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7795    0.8718    0.4193 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931   -0.8610    1.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7548   -1.7854   -1.0539 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
    3.1059    1.5682    0.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1254    2.7922    1.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0931    2.0395    0.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6261    0.8406   -1.7254 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0658    0.1513   -0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2104    0.3200   -1.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5234   -1.4055   -1.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1876   -0.9564    1.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6796    1.6015   -0.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4632    1.1033    1.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3172   -0.7072    1.4465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3657   -0.1910    1.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0624   -1.9044    1.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6716   -1.6036   -2.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1834   -2.6989   -0.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8385   -1.9065   -0.7660 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