Amyl nitrite
Properties
- Molecular formula
- C5H11NO2
- Molar mass
- 117.15 g/mol
- Exact mass
- 117.0790 Da
- Density
- 0.8817 g/mL (at 20 °C)
- Boiling point
- 104.5 °C
- Water solubility
- slightly soluble
- logP
- 1.87Crippen estimate
- Polar surface area
- 38.7 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 5
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[1]), 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
463-04-7SMILES
CCCCCON=OInChIKey
CSDTZUBPSYWZDX-UHFFFAOYSA-NInChI
InChI=1S/C5H11NO2/c1-2-3-4-5-8-6-7/h2-5H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Nitrous acid, pentyl ester
- Pentyl nitrite
- n-Amyl nitrite
- Nitramyl
- 1-Pentyl nitrite
- n-Pentyl nitrite
Work with Amyl 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
Butyl nitrite544-16-186 % similar
Propyl nitrite543-67-968 % similar
Pentyl ether693-65-248 % similar
Ethyl nitrite109-95-546 % similar
Dihexyl ether112-58-346 % similar
Octyl ether629-82-346 % similar
Pentyl formate638-49-343 % similar
Hexyl methyl ether4747-07-342 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.