Isoamyl nitrate
Properties
- Molecular formula
- C5H11NO3
- Molar mass
- 133.15 g/mol
- Exact mass
- 133.0739 Da
- Melting point
- below 0 °C
- Boiling point
- 148 °C
- logP
- 1.24Crippen estimate
- Polar surface area
- 52.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 4
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501
Identifiers
CAS number
543-87-3SMILES
CC(C)CCO[N+](=O)[O-]InChIKey
NTHGIYFSMNNHSC-UHFFFAOYSA-NInChI
InChI=1S/C5H11NO3/c1-5(2)3-4-9-6(7)8/h5H,3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 1-Butanol, 3-methyl-, 1-nitrate
- Isopentyl alcohol, nitrate
- Isopentyl nitrate
- 1-Butanol, 3-methyl-, nitrate
- iso-Amylnitrate
- 3-Methylbutyl nitrate
Work with Isoamyl nitrate
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
Ethylene glycol dinitrate628-96-658 % similar
Propyl nitrate627-13-454 % similar
Diethylene glycol dinitrate693-21-052 % similar
Butyl nitrate928-45-050 % similar
Ethyl nitrate625-58-146 % similar
Diisoamyl ether544-01-442 % similar
Nitroglycerin55-63-042 % similar
Isopropyl nitrate1712-64-741 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds