Back to Search
Ethyl Nitrite
CAS: 109-95-5 | C2H5NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
109-95-5
Molecular Formula:
C2H5NO2
Molecular Weight:
75.067 g/mol
Names and Synonyms:
Ethyl Nitrite
Nitrous acid, ethyl ester
Spirit of ethyl nitrite
Sweet spirit of niter
Ethyl nitrite
Nitrosyl ethoxide
Nitrous ether
Nitrous ethyl ether
Identifiers:
SMILES:
CCON=O
InChI:
InChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 75.067 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 75.0320284 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 38.66 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.7043 | RDKit |
| molecular_mass | 75.07 g/mol | Legacy Database |
| density | 0.90 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ethyl_nitrite None | Legacy Database |
| cas-boiling-point | 17 °C None | Legacy Database |
| cas-canonical-smile | O=NOCC None | Legacy Database |
| cas-density | 0.90 g/cm3 @ Temp: 15 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=QQZWEECEMNQSTG-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Ethyl nitrite None | Legacy Database |
| wikipedia-name | Ethyl nitrite None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 17.421 | RDKit |
