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
pKa
8.98
Flash point
36 °C (closed cup)
Water solubility
14 g/L
logP
0.67Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 609-001-00-6), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, P501

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 1,4-Dinitrobutane4286-49-155 % similar Nitroethane79-24-352 % similar 2-Nitroethanol625-48-948 % similar Beta-nitropropionic acid504-88-139 % similar 2-(2-Nitroethyl)-1,3-dioxolane82891-99-439 % similar Bromonitromethane563-70-239 % similar Propyl nitrate627-13-437 % 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

PubChem CAS Common Chemistry NIST WebBook Wikipedia