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
    3.9491    0.3744   -0.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8478    0.6225    0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5796   -0.0293   -0.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5818   -0.8160   -1.2723 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3752    0.2358    0.3912 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8893   -0.3350    0.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9257    0.2285    1.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0157    1.6759    0.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2260    2.4741    1.4688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0373    2.1984    0.0963 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.7489   -1.8507    0.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3588   -0.1759   -1.3099 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
    4.8655    0.8592   -0.2925 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0173   -0.3005   -1.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602    1.3105    0.8960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552    0.9060    1.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8780   -0.3082    0.9435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5515   -0.0071    2.0871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0096   -2.2271   -0.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5106   -1.9601    1.4147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7619   -2.2704    0.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4159   -0.5842   -1.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8029   -0.8716   -1.9867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4189    0.8507   -1.6670 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