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
    3.9101    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