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
    3.5534   -0.1063    0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7670    0.3731    0.9698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3183    0.2995    0.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6409    0.7884    1.8231 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6085   -0.2668   -0.1932 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8196   -0.3180   -0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5130    0.9637   -0.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4153    2.0309    0.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6317    2.9921    0.2734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1287    2.1166    1.7039 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.4340   -1.2211    0.7633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1055   -1.1127   -1.5904 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
    4.6201   -0.0136    0.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1746   -0.5751   -0.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1908    0.8501    1.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2198   -0.6774   -0.9673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6334    0.8170   -0.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1901    1.3918   -1.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4299   -0.8062    1.7689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8386   -2.1611    0.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4491   -1.4628    0.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1849   -1.3213   -1.5942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7561   -0.5124   -2.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5636   -2.0682   -1.4595 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