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
    3.1868    0.9750   -0.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8752    1.1681   -0.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9681    0.0804   -0.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0326   -0.2941    0.1609 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.0791    0.6285    0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1901    0.2782   -0.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3808    0.0251   -0.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3677   -1.6516   -0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7326   -0.1982    1.4318 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
    3.8853    1.7325   -0.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6017   -0.0031   -0.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5072    2.1374   -0.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4303    0.4060   -1.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5130   -0.8408   -1.1674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4036    0.7153    1.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6764    1.6211   -0.1073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0829    0.2169   -1.7202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5612    0.0680    0.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2527   -0.2424   -0.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7868   -2.1187    0.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5410   -2.2437   -0.2693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1503   -1.7837   -0.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1033   -0.7785    2.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6826   -0.7460    1.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8719    0.8481    1.7568 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