chempirical

1-Nitropropane

C3H7NO2CAS 108-03-289.09 g/mol

Open in Covalent MOL file
N+OO−
Nitro

Properties

Molecular formula
C3H7NO2
Molar mass
89.09 g/mol
Exact mass
89.0477 Da
Density
0.9934 g/mL (at 25 °C)
Melting point
−108 °C
Boiling point
131.6 °C
logP
0.67Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
108-03-2
SMILES
CCC[N+](=O)[O-]
InChIKey
JSZOAYXJRCEYSX-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NO2/c1-2-3-4(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
  • Propane, 1-nitro-
  • NSC 6363

Work with 1-Nitropropane

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

1-Nitrobutane627-05-471 % similar Nitroethane79-24-352 % similar Beta-nitropropionic acid504-88-139 % similar Bromonitromethane563-70-239 % similar Propyl nitrate627-13-437 % similar Ethyl nitroacetate626-35-735 % similar Tetrabutylammonium nitrate1941-27-134 % similar Butyl nitrate928-45-034 % similar

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

Same formula

β-Alanine107-95-9 Sarcosine107-97-1 Lactamide2043-43-8 Alanine302-72-7 D-Alanine338-69-2 Ethyl carbamate51-79-6 Isopropyl nitrite541-42-4 Propyl nitrite543-67-9

Elsewhere

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