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
    3.3166   -0.4049   -0.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309   -0.0529    0.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    0.6894   -0.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002   -0.0204    0.1707 N   0  0  0  0  0  4  0  0  0  0  0  0
   -0.9639   -0.0138   -0.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1440    0.8095   -0.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3718    0.3240   -0.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3326   -1.4101    0.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5921    0.5852    1.3404 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
    4.2072   -0.9433   -0.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1605   -0.1575   -1.6762 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6171   -0.3169    1.2934 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2431    1.6650    0.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2205    0.8761   -1.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -1.0480   -1.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4813    0.3859   -1.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9797    1.8591   -0.3512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2273    0.9050   -0.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5350   -0.7424   -0.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6526   -1.9555    0.4882 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8089   -1.5530    1.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8899   -1.8435   -0.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1006    0.4413    2.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6117    0.2323    1.5455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6471    1.6894    1.1921 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