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
    3.9320   -0.3345    0.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8984    0.3178    0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5771   -0.2874    0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3675   -1.4244    0.7086 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4122    0.3875   -0.2935 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8754   -0.2146   -0.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8713    0.7493   -0.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8331    2.0207   -0.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0635    2.1497    0.9355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6358    3.1043   -0.3667 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.3410   -0.5110    1.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9817   -1.5053   -1.0148 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
    3.7831   -1.3335    1.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9091    0.0906    0.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0695    1.2902   -0.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5687    1.3369   -0.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4585    1.0220   -1.8498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8791    0.3316   -0.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3696   -1.6030    1.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6979   -0.0496    1.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3670   -0.1312    1.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0541   -1.6229   -1.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7269   -2.3893   -0.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -1.3938   -1.9060 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