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Molecule
Dihydroxyethylenebis(Acrylamide)
CAS: 868-63-3 · C8H12N2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 868-63-3
- Molecular Formula
- C8H12N2O4
- Molecular Mass
- 200.19 g/mol
Identifiers
CAS Registry Number
868-63-3
SMILES
C=CC(O)=NC(O)C(O)N=C(O)C=C
InChI Key
ZMLXKXHICXTSDM-UHFFFAOYSA-N
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)
Names and Synonyms
- Dihydroxyethylenebis(Acrylamide) Common Name
- 2-Propenamide, N,N′-(1,2-dihydroxy-1,2-ethanediyl)bis- Synonym
- Acrylamide, N,N′-(1,2-dihydroxyethylene)bis- Synonym
- N,N′-(1,2-Dihydroxy-1,2-ethanediyl)bis[2-propenamide] Synonym
- Dihydroxyethylenebis(acrylamide) Synonym
- DHEBA Synonym
- 1,2-Dihydroxyethylene-1,2-bisacrylamide Synonym
- 1,2-Diacrylamido-1,2-dihydroxylethane Synonym
- D 2864 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.19 g/mol | CAS Common Chemistry |
| 200.194 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 |
| 105.64 Ų | RDKit | |
| LogP | -0.09180000000000016 | RDKit |
| -0.0918 | RDKit | |
| Molar Refractivity | 52.53520000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 200.079706864 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
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120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 200.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H12N2O4.
