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
    3.9578   -0.4360    0.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9211    0.2522   -0.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5971   -0.2963    0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4454   -1.3976    0.5594 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4030    0.3321   -0.4022 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8564   -0.2391   -0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9056    0.7072   -0.7821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9017    2.0235   -0.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4226    2.2593    0.9763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2936    3.0951   -0.7822 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.1243   -0.1929    1.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -1.5918   -0.6755 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
    3.8488   -1.3990    0.7550 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9618   -0.0565    0.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1111    1.2110   -0.6305 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4747    1.2603   -0.8671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8620    0.7610   -1.8938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8944    0.2201   -0.5324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7330    0.7889    1.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5232   -0.9875    1.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2100   -0.2920    1.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1681   -1.6593   -1.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1918   -2.3127    0.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4760   -2.0500   -1.4098 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