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
-1.9130 -2.4205 -0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0486 -1.1712 0.6239 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1172 -0.0895 -0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8018 -0.0865 -1.0797 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3021 0.1045 -0.2171 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5904 0.1271 -0.7332 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7306 -0.0277 -1.9857 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7641 0.3181 0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6305 0.4816 1.3773 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0982 0.3296 -0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5482 1.1535 0.1681 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7554 1.7968 1.1515 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3906 -3.2694 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8177 -2.6951 -0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2908 -2.3945 -1.1129 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8273 -1.1948 1.2869 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8805 -0.4068 -1.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7948 0.6402 -1.9212 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6824 -1.1275 -1.4901 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6910 0.4864 1.9062 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5163 0.6264 2.0058 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8900 0.2138 0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2924 1.2444 -1.1163 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1304 -0.5436 -1.2411 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0515 1.7485 -0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8024 1.3291 1.4093 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3797 1.9951 2.0755 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5342 2.8321 0.7702 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