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
    3.3738    0.2687    0.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276   -0.2968   -0.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2399    0.4521   -0.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0025   -0.1301   -0.1499 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.0549    0.7987   -0.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1373    0.8412    0.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3661    0.5336    0.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3095   -1.3790   -0.8431 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0834   -0.4317    1.2451 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
    4.2479   -0.2853    0.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2869    1.3018    0.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5308   -1.3250   -0.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1096    0.4888   -1.7733 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2365    1.5095   -0.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6265    1.8451   -0.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4818    0.6321   -1.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0129    1.1126    1.5489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5769    0.2529   -0.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2020    0.5476    0.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2084   -2.2412   -0.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4014   -1.5805   -0.7842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0064   -1.2745   -1.9040 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1458    0.4674    1.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7431   -1.1124    1.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0255   -0.9955    1.4145 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