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
    3.6232   -0.0726    0.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9334   -1.1559   -0.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5065   -1.1533   -0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8049   -2.1798   -0.3712 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7912    0.0564    0.0422 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6810    0.0716   -0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1188    1.4820    0.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5454    1.7380    0.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1397    1.9089   -0.8980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2989    1.8032    1.3503 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.1741   -0.3951   -1.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1519   -0.8808    1.0431 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
    4.7182   -0.0717    0.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1831    0.9010    0.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4642   -2.0862   -0.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2421    0.9685    0.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7311    1.8743    1.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5940    2.1325   -0.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0870   -1.4861   -1.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7169    0.1328   -2.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2633   -0.1817   -1.3993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0985   -0.5057    1.4919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.0279    1.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3088   -1.8724    0.5430 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