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
    3.5400   -0.4659   -0.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7471   -1.1363    0.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3268   -0.9210    0.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7026   -1.6441    1.3454 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6705    0.1017   -0.1304 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6744    0.5066   -0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6462   -0.2455   -0.9766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9852   -1.6114   -0.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6313   -2.3646    0.1170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8694   -2.1840   -1.7398 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.2695    0.6120    1.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7229    1.9599   -0.6758 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
    4.6045   -0.7364   -0.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2295    0.3633   -1.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2070   -1.9467    0.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069    0.7148   -0.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5946    0.4051   -1.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2341   -0.1274   -2.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6053   -0.3955    1.5652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1867    1.2246    1.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6135    1.1254    1.9494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7922    2.1665   -0.8449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2149    1.9396   -1.6599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2944    2.6592    0.0498 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