Propyl nitrate

C₃H₇NO₃CAS 627-13-4105.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₇NO₃
Molar mass: 105.09 g/mol
Exact mass: 105.0426 Da
Density: 1.0538 g/mL (at 20 °C)
Melting point: −100 °C
Boiling point: 110 °C
Flash point: 20 °C (closed cup)
Water solubility: 3.29 g/L
logP: 0.60Crippen estimate
Polar surface area: 52.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Danger

H225 Highly Flammable liquid and vaporFlammable liquids
H332 Harmful if inhaledAcute toxicity, inhalation
H373 May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure

NITE-CMC, via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P271, P280, P303+P361+P353, P304+P340, P317, P319, P370+P378, P403+P235, P501

Identifiers

CAS number

627-13-4

SMILES

CCCO[N+](=O)[O-]

InChIKey

JNTOKFNBDFMTIV-UHFFFAOYSA-N

InChI

InChI=1S/C3H7NO3/c1-2-3-7-4(5)6/h2-3H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

2 names

Nitric acid, propyl ester
n-Propyl nitrate

Work with Propyl 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

Butyl nitrate928-45-075 % similar Amyl nitrate1002-16-072 % similar Ethylene glycol dinitrate628-96-667 % similar Ethyl nitrate625-58-158 % similar Diethylene glycol dinitrate693-21-058 % similar Isoamyl nitrate543-87-354 % similar 2-Ethylhexyl nitrate27247-96-748 % similar Nitroglycerin55-63-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isopropyl nitrate1712-64-7 DL-Serine302-84-1 D-Serine312-84-5 Serine56-45-1 Isoserine565-71-9 Hydroxyurethane589-41-3 L-Isoserine632-13-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook