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Acrylamide
CAS: 79-06-1 | C3H5NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
79-06-1
Molecular Formula:
C3H5NO
Molecular Weight:
71.079 g/mol
Names and Synonyms:
Acrylamide
Common Name
DM 206
Synonym
NSC 7785
Synonym
Bio-Acrylamide 50
Synonym
Vinyl amide
Synonym
Ethylenecarboxamide
Synonym
Propenamide
Synonym
Acrylic amide
Synonym
Acrylamide
Synonym
2-Propenamide
Synonym
Identifiers:
SMILES:
C=CC(=N)O
InChI:
InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
100
80
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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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 71.08 g/mol | Legacy Database |
| density | 1.12 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Acrylamide None | Legacy Database |
| cas-boiling-point | 192.6 °C None | Legacy Database |
| cas-canonical-smile | O=C(N)C=C None | Legacy Database |
| cas-density | 1.122 g/cm3 @ Temp: 30 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5) None | Legacy Database |
| cas-inchi-key | InChIKey=HRPVXLWXLXDGHG-UHFFFAOYSA-N None | Legacy Database |
| wikipedia-name | Acrylamide None | Legacy Database |
| LogP | 0.70767 | RDKit |
| cas-melting-point | 84.5 °C None | Legacy Database |
| cas-name | Acrylamide None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 71.079 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 71.03711378 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 44.08 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.5525 | RDKit |