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+]
Resources
cid=

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
    3.7521    0.7996    0.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7444    0.8998    0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4899    0.1921    0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4139   -0.5464    1.2859 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3928    0.2769   -0.6061 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8354   -0.4371   -0.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4688   -0.0141    0.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7856    1.4126    0.9643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138    1.9271    1.9715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5026    2.2208   -0.1180 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.5671   -1.9461   -0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -0.2446   -1.4925 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
    3.6935    0.1721    1.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6725    1.3373    0.7288 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8493    1.5339   -0.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4585    0.8849   -1.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8128   -0.2313    1.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3993   -0.6103    1.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5885   -2.2652    0.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -2.5168   -0.8063 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3877   -2.1873   -0.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8445   -0.3840   -1.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7296   -1.0313   -2.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8028    0.7576   -1.9428 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