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
    3.1265   -1.5524    0.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8696   -0.4513   -0.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5173    0.0776   -0.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3289    1.1553   -1.2522 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3744   -0.4992   -0.0111 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9572    0.0609   -0.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0150    1.4182    0.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6838    1.4720    1.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3819    0.4308    2.5045 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7001    2.6703    2.5671 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.9737   -0.8968    0.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2150    0.2129   -1.6416 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
    2.3870   -2.1440    0.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1474   -1.9185    0.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6830    0.0857   -0.9722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5360   -1.3937    0.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3673    2.1406   -0.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0594    1.8393    0.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9791   -0.4285    0.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0086   -1.7663   -0.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7599   -1.3105    1.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2780   -0.0126   -1.8584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0386    1.2667   -1.9553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5527   -0.4568   -2.2138 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