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
    3.7353   -0.4306    0.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0318    0.6471    0.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5989    0.7634    0.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0104    1.8421    0.7618 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7805   -0.2981    0.0402 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6362   -0.2160   -0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0928    0.8284   -1.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5773    0.7691   -1.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1673   -0.1481   -1.7615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3424    1.7246   -0.4956 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.2328    0.1906    1.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2429   -1.5535   -0.4538 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
    3.2236   -1.3080    0.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8022   -0.4748    0.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5862    1.5209    0.9993 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2368   -1.2036   -0.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7422    1.8262   -0.7752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7539    0.5985   -2.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6806   -0.3879    1.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1677    1.2704    1.3826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2809   -0.1848    1.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0935   -1.8260   -1.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6944   -2.3125    0.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3005   -1.6373   -0.1782 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