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
2.9388 1.0637 0.5529 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3101 -0.0109 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0560 0.0970 -0.6416 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0600 -0.5822 -0.0252 N 0 0 0 0 0 4 0 0 0 0 0 0
-0.8067 0.2834 0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1161 0.6740 0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3857 1.9431 0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3008 -1.7749 0.6709 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9480 -0.9751 -1.1293 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
3.8683 1.0165 1.1063 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5181 2.0471 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7464 -0.9792 0.2963 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2308 -0.3361 -1.6631 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7562 1.1488 -0.8168 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0208 -0.2561 1.8316 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2221 1.1769 1.1675 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8445 -0.0687 0.0747 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3445 2.2837 -0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6684 2.7347 0.3466 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4294 -1.5258 1.7638 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1857 -2.2934 0.2801 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6043 -2.4506 0.6531 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2913 -1.6008 -1.8021 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2420 -0.0315 -1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 -1.5835 -0.7919 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