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
    3.2498    0.4513    1.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665   -0.4281    0.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249   -0.4724   -0.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2881   -1.3782   -1.0598 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4806    0.4012    0.1763 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8355    0.2764   -0.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4060   -1.0612   -0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5501   -1.2939    1.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2186   -0.4367    2.1980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0668   -2.4962    1.7864 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.7451    1.3849    0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6280    0.3743   -1.9368 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
    2.5509    1.1802    1.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2390    0.4830    1.6587 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6230   -1.1467    0.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6847    1.1414    0.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8656   -1.9172   -0.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4419   -1.1218   -0.5521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7960    0.9974   -0.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5854    1.7056    1.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6951    2.2817   -0.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310    0.9489   -2.4164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6121   -0.6716   -2.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3697    0.7977   -2.1794 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