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
   -2.2801    1.9336    0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8604    0.7645    0.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4015    0.4664    0.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0389   -0.6689   -0.0362 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.3861   -0.8232   -0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9934    0.4449   -0.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8428    1.0951    0.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5068   -0.5418   -1.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7135   -1.8275    0.5132 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
   -3.3384    2.1186    0.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5785    2.6933   -0.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5412   -0.0237    0.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1739    1.3780    0.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379    0.1908    1.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6014   -1.6115   -0.8429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8062   -1.1446    0.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7835    0.8790   -1.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3164    2.0204   -0.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1056    0.7208    1.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6048   -0.6777   -1.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0677   -1.4056   -1.9622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2072    0.4041   -1.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6666   -1.8558    1.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7684   -1.7695    0.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2973   -2.7597    0.0560 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