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
    3.7879   -0.1576   -0.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9586   -0.9123   -0.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5239   -0.8355   -0.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8041   -1.6044   -1.3783 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101    0.0822    0.1474 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6114    0.1690    0.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2995    0.4963   -1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7635    0.5632   -0.8419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5232   -0.4311   -0.7299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3995    1.7938   -0.7534 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.2508   -1.1029    0.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9151    1.2221    1.3120 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
    3.4143    0.5839    0.5756 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8587   -0.2711   -0.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3824   -1.6510   -1.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4272    0.7282    0.7193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1443   -0.3851   -1.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8999    1.4303   -1.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4728   -1.7650   -0.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6009   -1.6476    1.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2358   -0.8230    1.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8576    1.7396    1.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8767    0.7791    2.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1160    1.9988    1.3051 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