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
    3.7274   -0.1216    0.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9800   -1.1720   -0.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157   -1.1152   -0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8849   -2.1723   -0.3889 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7877    0.0637    0.0982 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6802    0.1048    0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1203    1.5050    0.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5648    1.7014    0.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0316    2.8408    0.5054 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4437    0.6745    0.0082 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.3077   -0.9171    0.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1168   -0.2216   -1.4032 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
    4.7963   -0.2471    0.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3145    0.8399    0.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4844   -2.1228   -0.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3194    0.9322    0.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7683    1.7604    1.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6516    2.2177   -0.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9334   -0.4633    1.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9376   -1.6567    0.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5325   -1.5267    1.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1752    0.7043   -2.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1146   -0.6616   -1.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4318   -0.9467   -1.8820 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