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
    4.0015    0.7143    0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7275    1.0682    0.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6381    0.1138    0.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   -1.0926   -0.0872 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2835    0.5150    0.1035 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8239   -0.3958   -0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1323    0.3700    0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2841    1.3739   -0.9499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7354    2.4931   -0.8130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0185    1.1341   -2.0926 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.8585   -1.4214    1.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8418   -1.1153   -1.3467 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
    4.7852    1.4368    0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2784   -0.3325    0.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4889    2.1161    0.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1134    1.5486    0.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9513   -0.4006   -0.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2052    0.7463    1.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8277   -1.9710    1.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8971   -0.9032    2.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036   -2.1000    1.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8862   -1.4778   -1.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6008   -0.4188   -2.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1841   -2.0009   -1.3062 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