chempirical

Sodium tert-butoxide

C4H9NaOCAS 865-48-596.10 g/mol

Open in Covalent MOL file
O−Na+
Alcohol

Properties

Molecular formula
C4H9NaO
Molar mass
96.10 g/mol
Exact mass
96.0551 Da
Density
1.1 g/mL
Melting point
263–270 °C (decomposes)
Boiling point
180 °C (at 1 Torr)
logP
0.40Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
865-48-5
SMILES
CC(C)(C)[O-].[Na+]
InChIKey
GSVQWRYRPRJOIM-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O.Na/c1-4(2,3)5;/h5H,1-3H3;

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Names and synonyms

11 names
  • 2-Propanol, 2-methyl-, sodium salt (1:1)
  • tert-Butyl alcohol, sodium salt
  • 2-Propanol, 2-methyl-, sodium salt
  • tert-Butoxysodium
  • 2-Methyl-2-propanol sodium salt
  • Sodium tert-butylate
  • tert-Butanol sodium salt
  • Sodium tert-butanolate
  • Sodium 2-methylpropan-2-olate
  • Sodium t-butoxide
  • 2-Methylpropan-2-olate sodium

Work with Sodium tert-butoxide

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

Lithium tert-butoxide1907-33-160 % similar Magnesium tert-butoxide32149-57-860 % similar Aluminum tert-butoxide556-91-260 % similar Potassium tert-butoxide865-47-460 % similar Lithium tri-tert-butoxyaluminum hydride17476-04-950 % similar Sodium 1,1-dimethylpropoxide14593-46-538 % similar Sodium methoxide124-41-431 % similar

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

Same formula

Sodium butoxide2372-45-4

Elsewhere

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