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
   -2.1316    2.0968   -0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0089    0.7900   -0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1530    0.0549    0.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1469   -0.6752    0.1011 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.8013    0.2319   -0.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6504    0.8615    0.5151 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9572    0.7101    0.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6092   -1.5493    0.9695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7911   -1.4117   -0.9715 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
   -2.7577    2.5771   -0.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5995    2.6714    0.5757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5402    0.2066   -0.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6799    0.7201    1.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8097   -0.6326    1.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2815    0.9844   -1.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4523   -0.4198   -1.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    1.4590    1.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4162    0.1214   -0.2574 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6130    1.1605    1.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4601   -1.9575    0.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0607   -0.9309    1.7634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0071   -2.3727    1.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9534   -0.7182   -1.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8054   -1.7711   -0.6891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1215   -2.2068   -1.3253 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