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
    3.4157    0.3579   -0.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8797   -0.8201   -0.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -1.0158    0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9815   -2.1780    0.2862 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621    0.0522    0.0697 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8715   -0.0969    0.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5389    1.2384    0.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3513    1.9485   -1.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7112    1.5475   -2.0773 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9587    3.1956   -1.2065 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.2055   -0.6939    1.5904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3396   -1.0697   -0.7963 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
    2.8768    1.2909   -0.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5041    0.4870   -0.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5310   -1.6768   -0.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9127    1.0165   -0.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6312    1.1634    0.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1344    1.8807    0.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250   -0.3554    1.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5260   -0.3706    2.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2685   -1.8081    1.5239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2526   -2.0833   -0.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6989   -1.0705   -1.7003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4172   -0.9395   -1.0443 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