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Molecule
Propanamide
CAS: 79-05-0 · C3H7NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 79-05-0
- Molecular Formula
- C3H7NO
- Molecular Mass
- 73.09 g/mol
Identifiers
CAS Registry Number
79-05-0
SMILES
CCC(=N)O
InChI Key
QLNJFJADRCOGBJ-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)
Names and Synonyms
- Propanamide Common Name
- Propanamide Synonym
- Propionamide Synonym
- Propionic acid amide Synonym
- Propionic amide Synonym
- Propionimidic acid Synonym
- Propanimidic acid Synonym
- Propylamide Synonym
- NSC 38708 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 73.09 g/mol | CAS Common Chemistry |
| 73.09499999999998 g/mol | RDKit | |
| 73.095 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.010 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Propanamide | CAS Common Chemistry |
| Boiling Point | 213 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(N)CC | CAS Common Chemistry |
| InChI | InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=QLNJFJADRCOGBJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 81.3 °C | CAS Common Chemistry |
| Name | Propionamide | CAS Common Chemistry |
| Propanamide | 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 | 0.93167 | RDKit |
| 0.9317 | RDKit | |
| Molar Refractivity | 20.6465 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 73.052763844 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 73.09 g/mol; density = 1.010 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H7NO.
