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
    2.8703    0.9885    0.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2251    0.0683    0.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8732    0.3394   -0.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1233   -0.5665    0.2005 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.1685    0.1174    0.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1137    0.7880    0.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3075    2.0939    0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6870   -1.3898   -0.8642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4776   -1.5171    1.1501 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
    3.8528    0.8280    1.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3978    1.9425    1.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7366   -0.8883    0.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5830    1.3756   -0.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9679    0.3165   -1.4038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6758    0.8328    1.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6827   -0.6310    1.5858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6670    0.1967   -0.6686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7654    2.7073    0.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0017    2.6038   -0.5634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5701   -0.9291   -1.8604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1699   -2.3929   -0.9131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7531   -1.6287   -0.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9577   -0.9502    1.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3781   -2.1167    1.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1218   -2.1885    0.5853 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