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Molecule
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 Mass
- 45.04 g/mol
Identifiers
CAS Registry Number
75-12-7
SMILES
N=CO
InChI Key
ZHNUHDYFZUAESO-UHFFFAOYSA-N
InChI
InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
Names and Synonyms
- Formamide Common Name
- Formamide Synonym
- Carbamaldehyde Synonym
- Methanamide Synonym
- Formimidic acid Synonym
- NSC 748 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 45.04 g/mol | CAS Common Chemistry |
| 45.041000000000004 g/mol | RDKit | |
| 45.041 g/mol | RDKit | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.1334 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Formamide | CAS Common Chemistry |
| Canonical SMILES | O=CN | CAS Common Chemistry |
| InChI | InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3) | CAS Common Chemistry |
| InChI Key | InChIKey=ZHNUHDYFZUAESO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 2.55 °C | CAS Common Chemistry |
| Name | Formamide | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.08 Ų | RDKit |
| LogP | 0.15147 | RDKit |
| 0.1515 | RDKit | |
| Molar Refractivity | 11.4125 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 45.021463716 g/mol | RDKit |
| Boiling Point | 210.5 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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 = 45.04 g/mol; density = 1.130 g/mL. Edit any field — others recompute live.
