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
    4.0638   -1.0499   -0.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1451   -0.1764   -0.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7181   -0.4825   -0.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3394   -1.6316   -0.6325 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7389    0.4595    0.1641 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6723    0.2205    0.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4309    1.4306    0.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8934    1.2357    0.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5923    1.4018   -0.3735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5660    0.8572    1.8126 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.0556   -0.9200    1.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2049   -0.2048   -1.1941 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
    5.1191   -0.8177   -0.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7753   -2.0301   -0.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4346    0.8037    0.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0877    1.3851    0.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1053    1.7484    1.6593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1757    2.2875   -0.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7460   -0.5834    2.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -1.0087    1.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6239   -1.8667    0.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7758   -1.1986   -1.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3014   -0.4106   -1.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1202    0.5508   -1.9669 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