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
    2.9905    1.0878   -0.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8087    1.0385    0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2590   -0.2301    0.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0124   -0.5677   -0.0323 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.1169    0.1040    0.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2505    0.3566   -0.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6916    1.5801   -0.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -0.3544   -1.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1512   -2.0161    0.1890 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
    3.5740    0.1919   -0.5405 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3842    2.0255   -0.7570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2431    1.9421    0.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9595   -1.0413    0.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345   -0.2495    1.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4984   -0.5327    1.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8050    1.0686    1.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7369   -0.4855   -0.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5228    1.7469   -1.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1889    2.4066   -0.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9732   -0.7589   -1.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7868   -0.9652   -1.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1205    0.6918   -1.7589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0356   -2.4279   -0.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1544   -2.1429    1.3103 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8038   -2.4681   -0.1557 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