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
   -3.3695    0.4044   -0.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3222   -0.2935   -0.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0342    0.3486   -0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0507   -0.1556   -0.0674 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.1467    0.7678   -0.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4455    0.2220    0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1101    0.8069    1.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3579   -1.4837   -0.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3367   -0.2412    1.3322 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
   -3.3341    1.4755   -0.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3240   -0.0799    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4184   -1.3579   -0.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6969    0.2167   -1.9530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0859    1.4422   -0.7321 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9047    1.6659    0.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1970    1.1232   -1.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9218   -0.6310   -0.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7150    1.6850    1.7182 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0829    0.4709    1.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5548   -2.0991   -0.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5882   -1.5330   -1.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1638   -1.9221    0.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2386   -0.8324    1.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5067   -0.7569    1.8526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4757    0.7570    1.7677 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