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Molecule
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 Mass
- 75.07 g/mol
Identifiers
CAS Registry Number
109-95-5
SMILES
CCON=O
InChI Key
QQZWEECEMNQSTG-UHFFFAOYSA-N
InChI
InChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3
Names and Synonyms
- Ethyl Nitrite Synonym
- Nitrous acid, ethyl ester Synonym
- Spirit of ethyl nitrite Synonym
- Sweet spirit of niter Synonym
- Ethyl nitrite Synonym
- Nitrosyl ethoxide Synonym
- Nitrous ether Synonym
- Nitrous ethyl ether Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 75.07 g/mol | CAS Common Chemistry |
| 75.067 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.90 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethyl_nitrite | CAS Common Chemistry |
| Boiling Point | 17 °C | CAS Common Chemistry |
| Canonical SMILES | O=NOCC | CAS Common Chemistry |
| InChI | InChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QQZWEECEMNQSTG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethyl nitrite | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.66 Ų | RDKit |
| LogP | 0.7043 | RDKit |
| Molar Refractivity | 17.421 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 75.0320284 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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100
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60
40
20
0 ppm
| 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.
External Resources
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MW = 75.07 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H5NO2.
