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
    3.6174   -0.3025    0.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9168    0.2811   -0.7782 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4530    0.3311   -0.8368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9498    0.9305   -1.7917 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6306   -0.2591    0.1231 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7816   -0.2403    0.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5543    0.9441    0.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6522    2.1787   -0.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2128    2.6996   -1.2740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5066    3.1471    0.4148 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.1472   -1.1879    1.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2728   -1.0930   -1.0266 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
    3.1515   -0.8070    0.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6939   -0.2873    0.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4608    0.7717   -1.5798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1692   -0.7669    0.9026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2818    1.2137    1.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6527    0.6141    0.6224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5632   -2.1070    1.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0437   -0.6255    2.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2265   -1.3952    1.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4924   -1.8462   -1.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1880   -1.6683   -0.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4672   -0.5255   -1.9226 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