Isoamyl nitrite
Properties
- Molecular formula
- C5H11NO2
- Molar mass
- 117.15 g/mol
- Exact mass
- 117.0790 Da
- Density
- 0.875 g/mL (at 25 °C)
- Boiling point
- 99.2 °C
- Water solubility
- < 100 mg/L (17.8 °C)
- logP
- 1.73Crippen estimate
- Polar surface area
- 38.7 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 4
Hazards
Danger
- H225 Highly Flammable liquid and vaporFlammable liquids
- H302 Harmful if swallowedAcute toxicity, oral
- H332 Harmful if inhaledAcute toxicity, inhalation
Harmonised EU classification (CLP Annex VI, index 007-020-00-9[2]), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P317, P330, P370+P378, P403+P235, P501
Identifiers
CAS number
110-46-3SMILES
CC(C)CCON=OInChIKey
OWFXIOWLTKNBAP-UHFFFAOYSA-NInChI
InChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- Nitrous acid, 3-methylbutyl ester
- Isopentyl alcohol, nitrite
- Isopentyl nitrite
- 3-Methylbutanol nitrite
- Vaporole
- Nitrous acid, isopentyl ester
- 3-Methylbutyl nitrite
- Amyl nitrite
- Aspiral
- Nitramyl
- Pentyl nitrite
- NSC 7903
Work with Isoamyl nitrite
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Isobutyl nitrite542-56-358 % similar
Propyl nitrite543-67-948 % similar
Diisoamyl ether544-01-448 % similar
Butyl nitrite544-16-144 % similar
Isoamyl formate110-45-243 % similar
Amyl nitrite463-04-743 % similar
Ethyl nitrite109-95-540 % similar
Isoamyl acetate123-92-240 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.