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-]
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
-2.8614 1.4287 -0.7258 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3254 0.2563 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3476 0.1095 0.6317 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0585 -0.3880 0.1916 N 0 0 0 0 0 4 0 0 0 0 0 0
0.8336 0.7422 0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1211 0.4772 -0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2210 0.6647 0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4394 -1.2756 1.2302 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1327 -1.1467 -1.0212 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
-2.5760 2.3245 -0.1471 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5794 1.5273 -1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6391 -0.5872 -1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2409 1.0759 1.1674 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8002 -0.5892 1.3968 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3040 1.5113 -0.5236 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9439 1.1402 1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1956 0.1274 -1.5191 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1921 1.0132 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1762 0.4696 -0.2821 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1599 -2.0223 0.7868 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4393 -1.8926 1.5505 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9085 -0.7450 2.0606 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0235 -1.8330 -0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2047 -0.5311 -1.9361 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7335 -1.8575 -1.0489 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