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Dihydroxyethylenebis(Acrylamide)
CAS: 868-63-3 | C8H12N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
868-63-3
Molecular Formula:
C8H12N2O4
Molecular Mass:
200.19 g/mol
Names and Synonyms:
Dihydroxyethylenebis(Acrylamide)
2-Propenamide, N,N′-(1,2-dihydroxy-1,2-ethanediyl)bis-
Acrylamide, N,N′-(1,2-dihydroxyethylene)bis-
N,N′-(1,2-Dihydroxy-1,2-ethanediyl)bis[2-propenamide]
Dihydroxyethylenebis(acrylamide)
DHEBA
1,2-Dihydroxyethylene-1,2-bisacrylamide
1,2-Diacrylamido-1,2-dihydroxylethane
D 2864
Identifiers:
SMILES:
C=CC(O)=NC(O)C(O)N=C(O)C=C
InChI:
InChI=1S/C8H12N2O4/c1-3-5(11)9-7(13)8(14)10-6(12)4-2/h3-4,7-8,13-14H,1-2H2,(H,9,11)(H,10,12)
Key Properties
Melting Point
158 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.19 g/mol | CAS Common Chemistry |
| 200.194 g/mol | RDKit | |
| 200.079706864 g/mol | RDKit | |
| Canonical SMILES | O=C(C=C)NC(O)C(O)NC(=O)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C8H12N2O4/c1-3-5(11)9-7(13)8(14)10-6(12)4-2/h3-4,7-8,13-14H,1-2H2,(H,9,11)(H,10,12) | CAS Common Chemistry |
| InChI Key | InChIKey=ZMLXKXHICXTSDM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 158 °C | CAS Common Chemistry |
| Name | Dihydroxyethylenebis(acrylamide) | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 105.64000000000001 Ų | RDKit |
| LogP | -0.09180000000000016 | RDKit |
| Molar Refractivity | 52.53520000000002 | RDKit |
