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
   -2.1271    1.4667    1.8481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9846    0.7270    0.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103    0.6680    0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1134   -0.6335   -0.0181 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.1041   -0.5050   -0.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6297    0.8957   -0.7664 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8237    1.1986   -0.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2592   -1.1677    1.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9503   -1.6032   -0.6856 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
   -1.3159    2.0644    2.2785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0747    1.5449    2.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8346    0.1738    0.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0238    1.3236    0.5808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9003    0.9912   -0.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9533   -0.8415   -1.8411 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -1.1608   -0.3866 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9997    1.6830   -1.1614 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1400    2.2272   -0.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4904    0.4503    0.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1555   -0.6727    1.7046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4741   -2.2625    1.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5660   -1.1068    2.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2170   -1.1566   -1.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3570   -2.5280   -0.7903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8286   -1.7761   -0.0640 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