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
3.9101 0.3756 -0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7655 0.7088 0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5438 0.0593 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6040 -0.8510 -0.9221 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2835 0.4092 0.5505 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8731 -0.3113 0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1380 0.1314 0.7322 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4473 1.5481 0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6835 2.2639 -0.1319 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5767 2.1002 1.0913 O 0 0 0 0 0 1 0 0 0 0 0 0
-0.6580 -1.7730 0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9042 -0.1682 -1.4302 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
3.9536 -0.3866 -0.9088 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8243 0.8540 0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7092 1.4752 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2200 1.1476 1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0509 -0.1532 1.8135 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9578 -0.5318 0.3395 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2976 -2.0737 1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3914 -1.9720 0.7334 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9456 -2.4466 -0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2632 0.6794 -1.7655 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9145 -0.0112 -1.8405 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4951 -1.0742 -1.9478 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