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
    2.8274    1.1538   -0.7929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2233    0.5607    0.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4505   -0.6880    0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0653   -0.5210    0.3935 N   0  0  0  0  0  4  0  0  0  0  0  0
   -0.7107   -0.1830   -0.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7928    0.7883   -0.4624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0809    0.4901   -0.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0929    0.5601    1.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4845   -1.7104    1.0205 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
    2.7351    0.6964   -1.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4002    2.0702   -0.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3209    1.0283    1.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4712   -0.9505   -1.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9265   -1.5667    0.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0421    0.3409   -1.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0888   -1.0741   -1.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4933    1.7472   -0.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3709   -0.4509   -1.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8225    1.2315   -0.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1795    0.6022    1.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2604    1.5226    0.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4159    0.2556    2.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3953   -1.3592    1.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -2.0600    1.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7632   -2.4842    0.2998 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