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
    3.9811    0.0059    0.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8273    0.3876    0.6674 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5927   -0.1673    0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6515   -0.9910   -0.8789 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3065    0.2168    0.5465 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9066   -0.3083   -0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1016    0.2634    0.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1150    1.7382    0.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4109    2.4884    1.2396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9531    2.3025   -0.4433 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.9400   -1.8103    0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9762    0.1204   -1.4795 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
    4.0453   -0.7109   -0.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842    0.4147    0.6378 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7505    1.0928    1.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3088    0.9151    1.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0921   -0.0287    1.7458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0086   -0.1731    0.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9824   -2.1605    0.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3954   -2.0762    1.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4956   -2.3244   -0.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2429   -0.4141   -2.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7117    1.1995   -1.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0157    0.0195   -1.8734 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