Monomers
Sodium 3-acrylamido-3-methylbutanoate
Identifiers
IUPAC name
sodium;3-methyl-3-(prop-2-enoylamino)butanoate
InchI
InChI=1S/C8H13NO3.Na/c1-4-6(10)9-8(2,3)5-7(11)12;/h4H,1,5H2,2-3H3,(H,9,10)(H,11,12);/q;+1/p-1
InchI Key
UYQMMKJPYKVVIC-UHFFFAOYSA-M
SMILES
C=CC(=O)NC(CC(=O)[O-])(C)C.[Na+]
Canonical SMILES
CC(C)(CC(=O)[O-])NC(=O)C=C.[Na+]
Isomeric SMILES
CC(C)(CC(=O)[O-])NC(=O)C=C.[Na+]
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H12NNaO3
Heavy Atom Count
13
Molecular Weight
193.178
Exact Molecular Weight
193.0715
Valence Electrons
68
Radical Electrons
0
tPSA
69.23
MolLogP
-3.7888
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
25 23 0 0 0 0 0 0 0 0999 V2000
3.9064 -0.3301 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7710 -0.1438 -0.6277 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5021 -0.2732 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5301 -0.5478 1.2865 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2821 -0.0913 -0.6564 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9736 -0.2060 0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1518 0.7565 1.1556 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0824 2.1799 0.7648 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7388 2.5470 -0.2382 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3382 3.1313 1.4392 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.1918 -1.6142 0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0612 -0.0175 -1.0191 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
3.8510 -0.5817 1.0686 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8657 -0.2462 -0.4908 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7853 0.1013 -1.6756 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3769 0.1244 -1.6821 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3841 0.5416 1.9418 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1347 0.5202 1.6574 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3446 -1.9474 1.1661 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0791 -1.5696 1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4240 -2.3408 -0.2249 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9883 0.2970 -0.4979 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2312 -0.9900 -1.5543 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7466 0.7006 -1.8209 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 2 0
8 10 1 0
6 11 1 0
6 12 1 0
1 14 1 0
1 15 1 0
2 16 1 0
5 17 1 0
7 18 1 0
7 19 1 0
11 20 1 0
11 21 1 0
11 22 1 0
12 23 1 0
12 24 1 0
12 25 1 0
M CHG 2 10 -1 13 1
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers