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Molecule
(2-Hydroxyethyl)Acrylamide
CAS: 7646-67-5 · C5H9NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7646-67-5
- Molecular Formula
- C5H9NO2
- Molecular Mass
- 115.13 g/mol
Identifiers
CAS Registry Number
7646-67-5
SMILES
C=CC(O)=NCCO
InChI Key
UUORTJUPDJJXST-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO2/c1-2-5(8)6-3-4-7/h2,7H,1,3-4H2,(H,6,8)
Names and Synonyms
- (2-Hydroxyethyl)Acrylamide Synonym
- 2-Propenamide, N-(2-hydroxyethyl)- Synonym
- Acrylamide, N-(2-hydroxyethyl)- Synonym
- N-(2-Hydroxyethyl)-2-propenamide Synonym
- N-Ethanolacrylamide Synonym
- N-Ethylolacrylamide Synonym
- N-(2-Hydroxyethyl)acrylamide Synonym
- (2-Hydroxyethyl)acrylamide Synonym
- Duramide Synonym
- HEAA Synonym
- N-Hydroxyethylacrylamide Synonym
- N-2-Hydroxythylacrylamide Synonym
- Hydroxyethyl acrylamide Synonym
- N-Hydroxylethyl acrylamide Synonym
- 2-Acrylamidoethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 115.13 g/mol | CAS Common Chemistry |
| 115.13199999999999 g/mol | RDKit | |
| 115.132 g/mol | RDKit | |
| Canonical SMILES | O=C(C=C)NCCO | CAS Common Chemistry |
| InChI | InChI=1S/C5H9NO2/c1-2-5(8)6-3-4-7/h2,7H,1,3-4H2,(H,6,8) | CAS Common Chemistry |
| InChI Key | InChIKey=UUORTJUPDJJXST-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (2-Hydroxyethyl)acrylamide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| 52.82 Ų | RDKit | |
| LogP | 0.12119999999999997 | RDKit |
| 0.1212 | RDKit | |
| Molar Refractivity | 32.21359999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 115.063328528 g/mol | RDKit |
| Boiling Point | 135-140 °C @ 1.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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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.
External Resources
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MW = 115.13 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H9NO2.
