chempirical

tert-Nitrosobutane

C4H9NOCAS 917-95-387.12 g/mol

Open in Covalent MOL file
NO

Properties

Molecular formula
C4H9NO
Molar mass
87.12 g/mol
Exact mass
87.0684 Da
logP
1.55Crippen estimate
Polar surface area
29.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
917-95-3
SMILES
CC(C)(C)N=O
InChIKey
LUQZKEZPFQRRRK-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO/c1-4(2,3)5-6/h1-3H3

Weigh it out

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

Names and synonyms

7 names
  • 2-Methyl-2-nitrosopropane
  • Nitroso-tert-butane
  • Propane, 2-methyl-2-nitroso-
  • 2-Methyl-2-nitroso-propane
  • tert-C4H9NO
  • Propane, 2-methyl-2-nitroso-, dimer
  • 2-Methyl-2-nitroso-propane dimer

Reactions

Work with tert-Nitrosobutane

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

tert-Butyl isocyanate1609-86-535 % similar N,N′-Methanetetraylbis[2-methyl-2-propanamine]691-24-733 % similar tert-Butyl nitrite540-80-730 % similar

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

Same formula

(+)-3-Pyrrolidinol100243-39-8 (S)-3-Aminotetrahydrofuran104530-79-2 1-Aziridineethanol1072-52-2 Butyraldoxime110-69-0 Morpholine110-91-8 3-Methoxy-azetidine110925-17-2 (R)-3-Aminotetrahydrofuran111769-26-7 N-Methylpropionamide1187-58-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook