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Formamide
CAS: 75-12-7 | CH3NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-12-7
Molecular Formula:
CH3NO
Molecular Weight:
45.041000000000004 g/mol
Names and Synonyms:
Formamide
Common Name
NSC 748
Synonym
Formimidic acid
Synonym
Methanamide
Synonym
Carbamaldehyde
Synonym
Formamide
Synonym
Identifiers:
SMILES:
N=CO
InChI:
InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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20
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| 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 | 45.04 g/mol | Legacy Database |
| density | 1.13 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Formamide None | Legacy Database |
| cas-boiling-point | 210.5 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | O=CN None | Legacy Database |
| cas-density | 1.1334 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3) None | Legacy Database |
| cas-inchi-key | InChIKey=ZHNUHDYFZUAESO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 2.55 °C None | Legacy Database |
| cas-name | Formamide None | Legacy Database |
| wikipedia-name | Formamide None | Legacy Database |
| LogP | 0.15147 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 45.041000000000004 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 45.021463716 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 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 | 11.4125 | RDKit |