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
-2.7009 2.0184 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7905 1.1101 0.0585 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7620 0.0713 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4334 0.7394 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6601 -0.1537 -0.0923 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9442 0.4223 -0.0655 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0546 1.6422 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1208 -0.4311 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9772 -1.7187 -0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4597 0.2215 -0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9800 -0.8896 -0.9497 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7074 -2.0629 -0.4781 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6661 2.6036 1.1503 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5559 1.4916 2.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8906 2.7647 1.0629 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6535 1.6331 -0.8629 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8443 -0.4025 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4782 1.3793 -0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2232 1.4311 0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0146 -2.1590 -0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8482 -2.3490 -0.2809 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4615 1.1950 -0.6072 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7456 0.2839 0.9815 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2078 -0.4606 -0.5616 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1142 -1.1912 -1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6460 -2.8159 -1.2897 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2609 -2.5333 0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7873 -1.8398 -0.3620 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