chempirical

Di-tert-butyl-iminodicarboxylate

C10H19NO4CAS 51779-32-9217.26 g/mol

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Properties

Molecular formula
C10H19NO4
Molar mass
217.26 g/mol
Exact mass
217.1314 Da
Melting point
118–120 °C
logP
2.65Crippen estimate
Polar surface area
68.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
51779-32-9
SMILES
CC(C)(C)OC(=O)N=C(O)OC(C)(C)C
InChIKey
XCAQIUOFDMREBA-UHFFFAOYSA-N
InChI
InChI=1S/C10H19NO4/c1-9(2,3)14-7(12)11-8(13)15-10(4,5)6/h1-6H3,(H,11,12,13)

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Names and synonyms

12 names
  • Imidodicarbonic acid, 1,3-bis(1,1-dimethylethyl) ester
  • Imidodicarbonic acid, bis(1,1-dimethylethyl) ester
  • Imidodicarboxylic acid, di-tert-butyl ester
  • 1,3-Bis(1,1-dimethylethyl) imidodicarbonate
  • Di-tert-butyl imidodicarbonate
  • Di-tert-butyl imidodicarboxylate
  • Bis(tert-butoxycarbonyl)amine
  • Di-tert-butyl iminodicarboxylate
  • NSC 131088
  • Bis(Boc)amine
  • Iminodicarboxylic acid di(tert-butyl) ester
  • tert-Butyl N-(tert-butoxycarbonyl)carbamate

Work with Di-tert-butyl-iminodicarboxylate

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 N-hydroxycarbamate36016-38-357 % similar 1,2-Bis(1,1-dimethylethyl) 1,2-hydrazinedicarboxylate16466-61-856 % similar Di-tert-butyl azodicarboxylate870-50-856 % similar N,O-Bis(tert-butoxycarbonyl)hydroxylamine85006-25-352 % similar N-[(1,1-Dimethylethoxy)carbonyl]glycine 1,1-dimethylethyl ester111652-20-150 % similar N-[(1,1-Dimethylethoxy)carbonyl]-2-methylalanine30992-29-150 % similar N-(tert-Butoxycarbonyl)glycine4530-20-550 % similar N-tert-Butoxycarbonyl-L-tert-leucine62965-35-950 % similar

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

Same formula

2-Hydroxymethylmorpholine-4-carboxylic acid tert-butyl ester135065-69-9 (R)-N-Boc-2-hydroxymethylmorpholine135065-71-3 tert-Butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate135065-76-8 Boc-L-valine13734-41-3 1,1-Dimethylethyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate61478-26-0 N-[(1S)-1-Carboxyethyl]-L-norvaline 1-ethyl ester82834-12-6

Elsewhere

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