chempirical

Propyl nitrite

C3H7NO2CAS 543-67-989.09 g/mol

Open in Covalent MOL file
ONO

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

Identifiers

CAS number
543-67-9
SMILES
CCCON=O
InChIKey
KAOQVXHBVNKNHA-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NO2/c1-2-3-6-4-5/h2-3H2,1H3

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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

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 Tripropyl phosphate513-08-636 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

β-Alanine107-95-9 Sarcosine107-97-1 1-Nitropropane108-03-2 Lactamide2043-43-8 Alanine302-72-7 D-Alanine338-69-2 Ethyl carbamate51-79-6 Isopropyl nitrite541-42-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook