Amyl nitrite
| Amyl nitrite | |
|---|---|
| Molecular structure via molpic based on CDK |
| Physical properties [] | |
|---|---|
| Molecular mass | 117.15 g/mol [1] |
| Density | 0.8528 at 68 °F (NTP, 1992) - Less dense than water; will float g/cm3 [1] |
| Appearance | Yellowish, transparent liquid [1] |
| Odor | Penetrating fragrant, somewhat fruity odor [1] |
| Taste | Pungent, aromatic taste [1] |
| Boiling point | 205 to 210 °F at 760 mmHg (NTP, 1992) [1] |
| Solubility | less than 0.1 mg/mL at 64 °F (NTP, 1992) [1] |
| Predicted LogP | 1.7 [1] |
| Structural Identifiers [] | |
|---|---|
| Molecular formula | C5H11NO2 [1] |
| IUPAC name | 3-methylbutyl nitrite [1] |
| SMILES | CC(C)CCON=O [1] |
| InChI | InChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3 [1] |
| InChIKey | OWFXIOWLTKNBAP-UHFFFAOYSA-N [1] |
Amyl nitrite (also known as Isoamyl Nitrite, Isoamyl nitrite, Isopentyl nitrite, 3-Methylbutyl nitrite, Vaporole, Amilnitrite, Aspiral, Nitrous acid, 3-methylbutyl ester, 3-Methylbutanol nitrite or Pentanoli nitris)
Chemistry
Stereochemistry []
Amyl nitrite is a achiral mixture.
Druglikeness
Lipinski's rule of five
Amyl nitrite matches Lipinski's rule of five.Pharmacology
ATC Classification
In the various (V) amyl nitrite actsSubjective effects []
| emily / Amyl nitrite [] | |
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Routes:
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| 0xea / Amyl nitrite [] | |
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Routes:
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| Pilz / Amyl nitrite [] | |
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Routes:
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External links []
References []
National Center for Biotechnology Information. PubChem Compound Summary for CID 8053, Amyl nitrite. Accessed June 30, 2026. https://pubchem.ncbi.nlm.nih.gov/compound/8053