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
    3.2979   -0.1289    0.8995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1378   -0.7189    0.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3289   -0.4368   -0.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0323    0.1079   -0.1534 N   0  0  0  0  0  4  0  0  0  0  0  0
   -0.9413   -0.9834   -0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2738   -0.3448    0.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2936   -0.4883   -0.6233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4132    0.9756   -1.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1709    0.7913    1.1025 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
    3.6716    0.5653    0.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8685   -0.3422    1.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7288   -1.4279    1.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8565    0.2779   -1.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1519   -1.4188   -1.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9264   -1.4751   -1.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6668   -1.7179    0.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4036    0.2545    1.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1954   -1.0779   -1.5185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2301   -0.0135   -0.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4746    1.4319   -1.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8820    0.3431   -2.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1721    1.7050   -0.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0399    1.4620    1.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3579    0.0558    1.8897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7193    1.3787    1.3865 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