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
   -2.0480    2.1376    0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6129    1.0177    0.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4770   -0.2191   -0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1399   -0.7570   -0.2252 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.8462    0.1409   -0.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3914    1.0837    0.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6746    1.1230    0.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1757   -1.9002   -1.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2916   -1.2387    1.0763 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
   -2.3189    2.1712   -1.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1584    3.0658    0.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3533    1.0192    1.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -0.1640   -1.2014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1035   -1.0003    0.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4061    0.6852   -1.6067 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6644   -0.4893   -1.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7385    1.7812    0.7408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    1.8096    1.2564 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.4222    0.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8472   -2.3642   -1.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3064   -1.5999   -2.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931   -2.6756   -0.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4705   -1.9120    1.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2468   -1.7626    0.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4036   -0.3744    1.7732 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