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
   -2.8208    1.0449   -0.9695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2513    0.2700   -0.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9006    0.6108    0.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0434   -0.4498    0.1599 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.3895   -0.1154    0.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8839    1.1496   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9552    1.1524   -0.7827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0147   -0.9428   -1.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3493   -1.5684    1.0241 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
   -2.3103    1.9150   -1.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8118    0.7894   -1.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8012   -0.6045    0.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6185    1.5880    0.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9789    0.7044    1.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4280   -0.0901    1.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0374   -0.9524    0.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4267    2.1111    0.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4996    0.2466   -1.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3551    2.0649   -1.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0394   -1.1491   -1.5365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5452   -1.9111   -1.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4641   -0.2457   -1.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4668   -2.3288    0.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3620   -1.2722    2.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2962   -2.0168    0.7156 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