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
   -3.0231    0.7953    0.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0663   -0.0040    0.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6368    0.3938    0.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1299   -0.5327   -0.1267 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.5496   -0.3448    0.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0451    0.9541   -0.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5969    1.8500    0.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1973   -0.3525   -1.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1784   -1.9111    0.2142 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
   -4.0422    0.4888    0.3938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7645    1.7486   -0.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3472   -0.9585    1.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5709    1.3857    0.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2263    0.3785    1.6963 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0658   -1.1626   -0.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6978   -0.4904    1.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690    1.2167   -1.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9600    2.8045    0.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6864    1.6180    1.4969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3704    0.7101   -1.7957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1230   -0.9455   -1.7322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5971   -0.8176   -2.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2343   -2.1347   -0.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5459   -2.5587   -0.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0630   -2.1311    1.2813 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