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
    3.6210   -0.0064    0.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0935    0.4926   -0.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6543    0.4526   -0.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184    0.9543   -1.6170 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7123   -0.1381    0.3323 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6896   -0.1892    0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3210    1.1637   -0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7663    1.0861   -0.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4038    0.0086   -0.3981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5090    2.2499   -0.4484 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.3313   -1.0428    1.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727   -0.9488   -1.2330 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
    4.6874    0.0483    0.9657 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0562   -0.4964    1.5952 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7732    0.9647   -1.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0674   -0.5700    1.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8595    1.6800   -0.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1921    1.7200    0.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5695   -1.8400    1.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2126   -1.6071    0.7905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5045   -0.4902    2.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7244   -0.2719   -2.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8399   -1.4958   -1.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0872   -1.7241   -1.2564 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