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
    4.1131   -0.5454   -0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9694   -0.4092    0.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6925   -0.2244   -0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7161   -0.1981   -1.3163 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4954   -0.0836    0.6936 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7490    0.0978   -0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9243    0.2315    0.9013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1464    0.4124    0.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2874    0.5515    0.5988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1089    0.4401   -1.3180 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.6629    1.3669   -0.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9449   -1.1224   -0.9138 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
    4.0614   -0.5129   -1.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0346   -0.6792    0.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9936   -0.4381    1.7181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4855   -0.1067    1.7363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7603    1.1326    1.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0049   -0.6950    1.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9391    1.1064   -1.8773 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3583    1.8081   -0.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3566    2.1553   -0.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1801   -1.9076   -0.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9234   -0.7616   -1.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9317   -1.6182   -0.6826 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