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
-3.0231 0.7953 0.3223 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0663 -0.0040 0.7594 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6368 0.3938 0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1299 -0.5327 -0.1267 N 0 0 0 0 0 4 0 0 0 0 0 0
1.5496 -0.3448 0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0451 0.9541 -0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5969 1.8500 0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1973 -0.3525 -1.5315 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1784 -1.9111 0.2142 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
-4.0422 0.4888 0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7645 1.7486 -0.1018 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3472 -0.9585 1.1826 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5709 1.3857 0.1817 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2263 0.3785 1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0658 -1.1626 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6978 -0.4904 1.2106 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9690 1.2167 -1.4006 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9600 2.8045 0.0976 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6864 1.6180 1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3704 0.7101 -1.7957 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1230 -0.9455 -1.7322 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5971 -0.8176 -2.1473 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2343 -2.1347 -0.1105 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5459 -2.5587 -0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0630 -2.1311 1.2813 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