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
    3.6568    0.1029    0.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0507    0.8589    0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6436    0.7569   -0.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1440    1.5386   -1.1256 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7364   -0.1894    0.2923 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6541   -0.2994   -0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500    0.9512    0.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8658    0.7603   -0.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3358   -0.2903   -0.6453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7481    1.8086    0.0379 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.7610   -0.5716   -1.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2308   -1.4922    0.6833 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
    3.1232   -0.6597    1.4899 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7001    0.2470    1.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    1.6280   -0.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1747   -0.8382    1.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0332    1.7780   -0.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4475    1.2035    1.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5687   -1.2881   -1.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9065    0.4083   -2.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046   -0.9679   -1.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5123   -1.8694    1.4463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3764   -2.3422   -0.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1685   -1.2338    1.2019 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