chempirical

2-Methyl-2-nitropropane

C4H9NO2CAS 594-70-7103.12 g/mol

Open in Covalent MOL file
N+OO−
Nitro

Properties

Molecular formula
C4H9NO2
Molar mass
103.12 g/mol
Exact mass
103.0633 Da
Melting point
26.23 °C
Boiling point
127.16 °C
logP
1.06Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
594-70-7
SMILES
CC(C)(C)[N+](=O)[O-]
InChIKey
AIMREYQYBFBEGQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO2/c1-4(2,3)5(6)7/h1-3H3

Weigh it out

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

Names and synonyms

6 names
  • Propane, 2-methyl-2-nitro-
  • Trimethylnitromethane
  • 2-Nitroisobutane
  • 1,1-Dimethyl-1-nitroethane
  • 2-Nitro-2-methylpropane
  • NSC 3651

Work with 2-Methyl-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

Dmdnb3964-18-958 % similar 2-Bromo-2-nitropropane5447-97-250 % similar 2-Chloro-2-nitropropane594-71-850 % similar 1,1-Dichloro-1-nitroethane594-72-950 % similar 2-Methyl-2-nitro-1,3-propanediol77-49-644 % similar Chloropicrin76-06-243 % similar Tris(hydroxymethyl)nitromethane126-11-438 % similar Nitromethane75-52-535 % similar

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

Same formula

Ethyl N-methylcarbamate105-40-8 β-Aminoisobutyric acid10569-72-9 Ethyl N-hydroxyethanimidate10576-12-2 Dimethylglycine1118-68-9 2-Hydroxy-2-methylpropanamide13027-88-8 N-(2-Hydroxyethyl)acetamide142-26-7 3-Aminoisobutyric acid144-90-1 (+)-α-Aminobutyric acid1492-24-6

Elsewhere

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