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
   -2.3311   -1.8496    0.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0817   -1.4167    0.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6729   -0.1322    1.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0844    0.7739    0.0945 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.3458    0.6222   -0.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7770   -0.7130   -0.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5830   -1.4206    0.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7282    0.7306   -1.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3040    2.1200    0.6120 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
   -3.1084   -1.2299    0.9406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6550   -2.7890    0.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3287   -2.0416   -0.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0110   -0.2262    1.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5950    0.3696    1.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    0.9796    0.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6541    1.3491   -0.8516 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4396   -1.1423   -1.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9302   -1.0014    1.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9337   -2.4223    0.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7498    1.1127   -1.0745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7042   -0.3113   -1.5955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1670    1.4127   -1.8766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3924    2.2904    0.6985 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1469    2.1235    1.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2147    2.8116   -0.0547 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