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
    3.8022   -0.9785    0.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282   -0.3151    0.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5424   -0.2762    0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4689   -0.8357   -1.0577 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3601    0.4331    0.4059 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8225    0.5366   -0.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3559   -0.8959   -0.5071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375   -1.5538    0.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0786   -2.7267    0.7300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4604   -0.9952    2.0132 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.8126    1.1526   -1.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7887    1.3441    0.5118 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
    4.6584   -0.9938    1.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8762   -1.5158   -0.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7477    0.1916    1.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.9187    1.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7268   -1.5344   -1.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3335   -0.8075   -1.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9027    2.2626   -1.6471 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0342    0.9269   -2.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7145    0.8141   -2.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8379    1.1278    0.2903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5398    1.3012    1.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6111    2.4195    0.2217 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