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
   -3.1360    0.6310   -0.8434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9216    0.1633   -1.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2733   -0.8110   -0.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0360   -0.3502    0.3431 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.5490    0.7553   -0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9563    0.8958    0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0050    0.7697   -0.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2697    0.0620    1.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9202   -1.4536    0.2748 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
   -3.7116    0.3349    0.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6051    1.3538   -1.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3937    0.4965   -1.9788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9644   -1.1204    0.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1221   -1.7659   -0.7984 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0196    1.6834   -0.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5827    0.5944   -1.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1460    1.1061    1.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8654    0.5588   -1.7361 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9946    0.8797   -0.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6354    0.0686    2.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6904    1.0812    1.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9592   -0.6855    2.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2697   -1.4853   -0.7779 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4026   -2.4216    0.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7367   -1.3409    1.0083 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