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
   -3.0089    0.2062    1.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3398    0.5332    0.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9314    0.9480    0.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0321    0.0886   -0.3749 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.3020    0.6632   -0.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3588   -0.3572   -0.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1789   -0.4880    0.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3504    0.1197   -1.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0978   -1.2757    0.0580 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
   -4.0452   -0.1066    1.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5075    0.2483    2.3335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8727    0.4811   -0.6623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6062    0.9739    1.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8036    1.9866   -0.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3576    1.3039    0.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4982    1.3855   -1.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4889   -1.0424   -1.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0465    0.1997    1.6839 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9515   -1.2239    0.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3834   -0.2256   -1.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1412    1.1195   -2.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3372   -0.5875   -2.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7105   -1.8442   -0.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0566   -1.4043    1.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0533   -1.7019   -0.3138 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