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
   -2.5750    1.2032   -1.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0182    0.6389    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5749    0.8141    0.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0868   -0.4704    0.2690 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.0133   -0.6457   -0.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1633    0.2405   -0.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4891    1.2160   -0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6680   -0.6787    1.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9530   -1.4976    0.0600 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
   -2.0301    1.8082   -1.7525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6513    1.0832   -1.2415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6141    0.0519    0.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5014    1.3459    1.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1306    1.4544   -0.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3068   -1.7399   -0.7755 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276   -0.4848   -1.7542 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8656    0.0804   -1.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3701    1.8317   -0.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8427    1.4177    0.8102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4181    0.1649    2.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2686   -1.6422    1.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7814   -0.8544    1.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6445   -1.2037   -0.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5314   -1.6816    0.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4771   -2.4520   -0.2859 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