Monomers
2,2-Dimethylaminoethyl methacrylate
Identifiers
IUPAC name
2,2-bis(methylamino)ethyl 2-methylprop-2-enoate
InchI
InChI=1S/C8H16N2O2/c1-6(2)8(11)12-5-7(9-3)10-4/h7,9-10H,1,5H2,2-4H3
InchI Key
DXDMKLZVAJPSSQ-UHFFFAOYSA-N
SMILES
CNC(COC(=O)C(=C)C)NC
Canonical SMILES
CC(=C)C(=O)OCC(NC)NC
Isomeric SMILES
CC(=C)C(=O)OCC(NC)NC
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H16N2O2
Heavy Atom Count
12
Molecular Weight
172.228
Exact Molecular Weight
172.1212
Valence Electrons
70
Radical Electrons
0
tPSA
50.36
MolLogP
-0.1294
H Bond Acceptors
4
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
28 27 0 0 0 0 0 0 0 0999 V2000
-1.0013 1.6311 -0.2996 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8673 0.7772 -1.0524 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5126 -0.6227 -1.0223 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1795 -0.9043 -1.6203 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9224 -0.2926 -1.0763 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3723 -0.4666 0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7574 -1.2435 0.9671 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5655 0.2324 0.7198 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9639 0.0346 1.9601 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3344 1.1649 -0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7182 -1.2836 0.2172 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9893 -0.9783 0.8383 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0406 1.8626 -0.7848 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8666 1.2982 0.7579 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5387 2.6218 -0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8351 0.9415 -0.7623 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2607 -1.1035 -1.7413 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0826 -2.0188 -1.7121 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2453 -0.5583 -2.7025 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4060 -0.6439 2.5885 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8138 0.5146 2.3741 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2156 0.7898 -1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4256 1.1278 0.0576 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9669 2.1953 -0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7194 -2.3183 0.0346 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8575 -1.3647 0.3082 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0681 0.1057 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9613 -1.4983 1.8408 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 2 0
6 8 1 0
8 9 2 3
8 10 1 0
3 11 1 0
11 12 1 0
1 13 1 0
1 14 1 0
1 15 1 0
2 16 1 0
3 17 1 0
4 18 1 0
4 19 1 0
9 20 1 0
9 21 1 0
10 22 1 0
10 23 1 0
10 24 1 0
11 25 1 0
12 26 1 0
12 27 1 0
12 28 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers