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
    4.0372    0.6614   -0.7091 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0402    0.2640    0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6720    0.3258   -0.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3638    0.7567   -1.5617 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6386   -0.1157    0.4656 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7605   -0.1105    0.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0941   -0.9676   -1.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5377   -0.9483   -1.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0369   -0.0200   -2.0625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3965   -1.9489   -0.9643 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.1407    1.3333   -0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5453   -0.5745    1.3303 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
    3.8010    1.0316   -1.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0426    0.6001   -0.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2575   -0.1129    1.0559 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8986   -0.4681    1.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8494   -2.0240   -0.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4843   -0.6031   -1.9067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4870    2.0381    0.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1798    1.5276    0.2064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0826    1.5287   -1.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1186   -1.5722    1.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6077   -0.7456    1.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4304    0.1442    2.1764 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