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
    3.9064   -0.3301    0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7710   -0.1438   -0.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5021   -0.2732    0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5301   -0.5478    1.2865 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2821   -0.0913   -0.6564 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9736   -0.2060    0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1518    0.7565    1.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0824    2.1799    0.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7388    2.5470   -0.2382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3382    3.1313    1.4392 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.1918   -1.6142    0.5766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0612   -0.0175   -1.0191 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
    3.8510   -0.5817    1.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8657   -0.2462   -0.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7853    0.1013   -1.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3769    0.1244   -1.6821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3841    0.5416    1.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1347    0.5202    1.6574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3446   -1.9474    1.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0791   -1.5696    1.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4240   -2.3408   -0.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9883    0.2970   -0.4979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2312   -0.9900   -1.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7466    0.7006   -1.8209 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