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Molecule
Acrylamide
CAS: 79-06-1 · C3H5NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 79-06-1
- Molecular Formula
- C3H5NO
- Molecular Mass
- 71.08 g/mol
Identifiers
CAS Registry Number
79-06-1
SMILES
C=CC(=N)O
InChI Key
HRPVXLWXLXDGHG-UHFFFAOYSA-N
InChI
InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)
Names and Synonyms
- Acrylamide Common Name
- 2-Propenamide Synonym
- Acrylamide Synonym
- Acrylic amide Synonym
- Propenamide Synonym
- Ethylenecarboxamide Synonym
- Vinyl amide Synonym
- Bio-Acrylamide 50 Synonym
- NSC 7785 Synonym
- DM 206 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 71.08 g/mol | CAS Common Chemistry |
| 71.079 g/mol | RDKit | |
| Density | 1.12 g/cm³ | CAS Common Chemistry |
| 1.122 g/cm3 @ 30 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Acrylamide | CAS Common Chemistry |
| Boiling Point | 192.6 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(N)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=HRPVXLWXLXDGHG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 84.5 °C | CAS Common Chemistry |
| Name | Acrylamide | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.08 Ų | RDKit |
| LogP | 0.70767 | RDKit |
| 0.7077 | RDKit | |
| Molar Refractivity | 20.5525 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 71.03711378 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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.
External Resources
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MW = 71.08 g/mol; density = 1.120 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H5NO.
