chempirical

2-Nitropropane

C3H7NO2CAS 79-46-989.09 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
0.9821 g/mL (at 25 °C)
Melting point
−93 °C
Boiling point
120.3 °C
logP
0.67Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
79-46-9
SMILES
CC(C)[N+](=O)[O-]
InChIKey
FGLBSLMDCBOPQK-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3

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Names and synonyms

5 names
  • Propane, 2-nitro-
  • Isonitropropane
  • Dimethylnitromethane
  • NSC 5369
  • 1-Methylnitroethane

Work with 2-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-Chloro-1-nitroethane598-92-550 % similar 1-Chloro-1-nitropropane600-25-938 % similar 1,3-Diethyl 2-nitropropanedioate603-67-833 % similar Isopropyl nitrate1712-64-732 % 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

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