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
    3.4163    0.3295    0.6161 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9615   -0.3487   -0.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5455   -0.4412   -0.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1218   -1.1161   -1.6951 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5358    0.1756    0.0796 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8562    0.0329   -0.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6980    0.7962    0.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4683    0.2496    2.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -0.7046    2.2724 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1334    0.7930    3.1414 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.0955    0.6672   -1.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3111   -1.3859   -0.3344 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
    2.7390    0.8398    1.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4926    0.4029    0.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6997   -0.8471   -1.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7891    0.7418    0.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3749    1.8712    0.6414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7520    0.6875    0.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.5340   -1.7392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1404    1.0330   -1.6504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9779   -0.0724   -2.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3431   -1.7273   -1.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7117   -2.0728    0.3008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3493   -1.4383    0.0551 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