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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 Mass:
45.04 g/mol
Names and Synonyms:
Formamide
Formamide
Carbamaldehyde
Methanamide
Formimidic acid
NSC 748
Identifiers:
SMILES:
N=CO
InChI:
InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
Key Properties
Boiling Point
210.5 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
2.55 °C
CAS Common Chemistry
Density
1.13 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 45.04 g/mol | CAS Common Chemistry |
| 45.041000000000004 g/mol | RDKit | |
| 45.021463716 g/mol | RDKit | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.1334 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Formamide | CAS Common Chemistry |
| Boiling Point | 210.5 °C @ Press: 760 Torr | 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 |
| Molar Refractivity | 11.4125 | RDKit |
