Propyl nitrite
Properties
- Molecular formula
- C3H7NO2
- Molar mass
- 89.09 g/mol
- Exact mass
- 89.0477 Da
- Boiling point
- 48 °C
- logP
- 1.09Crippen estimate
- Polar surface area
- 38.7 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 3
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H330 Fatal if inhaled100% of notifiers
- H335 May cause respiratory 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, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
543-67-9SMILES
CCCON=OInChIKey
KAOQVXHBVNKNHA-UHFFFAOYSA-NInChI
InChI=1S/C3H7NO2/c1-2-3-6-4-5/h2-3H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Nitrous acid, propyl ester
- Nitrous acid n-propyl ester
- n-Propyl nitrite
- Propanol nitrite
Work with Propyl 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 nitrite544-16-171 % similar
Amyl nitrite463-04-768 % similar
Ethyl nitrite109-95-552 % similar
Isoamyl nitrite110-46-348 % similar
Isobutyl nitrite542-56-346 % similar
Di-n-propyl ether111-43-340 % similar
Methoxypropane557-17-536 % similar
Propyl formate110-74-736 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.