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
    3.8107    0.9416   -0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8011    0.6622    0.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5471    0.2152   -0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    0.0822   -1.3396 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4021   -0.1071    0.7029 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8363   -0.5473    0.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4603    0.4549   -0.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7591    1.7502   -0.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7699    1.9111    0.5850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9256    2.8679   -0.3530 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.7142   -1.8510   -0.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8200   -0.7840    1.2722 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
    3.7261    0.8453   -1.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7374    1.2707    0.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8911    0.7604    1.5576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -0.0012    1.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4576    0.0130   -1.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8620    0.5790   -1.7184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5507   -2.5536   -0.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2294   -2.3286   -0.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6159   -1.6867   -1.6971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6377   -0.0504    2.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8724   -0.6177    0.9692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7742   -1.8261    1.6562 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