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
    3.8720   -0.5773    0.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6605   -0.7025    1.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5629   -0.0615    0.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7816    0.6229   -0.6773 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2149   -0.1430    0.7998 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9090    0.4560    0.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0764   -0.0700   -1.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2748   -1.5522   -1.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4442   -2.2660   -2.1420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2815   -2.2016    0.1050 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.1804    0.0755    0.9167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    1.9679    0.1647 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
    4.0548   -0.0015   -0.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6905   -1.0424    1.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4740   -1.2739    1.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0782   -0.7207    1.6861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1616    0.1489   -1.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9530    0.3918   -1.7555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9567   -0.3387    0.2548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    0.9376    1.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9231   -0.6566    1.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0212    2.3734   -0.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7915    2.3090   -0.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9244    2.3248    1.1986 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