chempirical

tert-Butyl N-hydroxycarbamate

C5H11NO3CAS 36016-38-3133.15 g/mol

Open in Covalent MOL file
OONHOH
Oxime

Properties

Molecular formula
C5H11NO3
Molar mass
133.15 g/mol
Exact mass
133.0739 Da
Melting point
58–59 °C
logP
1.10Crippen estimate
Polar surface area
62.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
36016-38-3
SMILES
CC(C)(C)OC(O)=NO
InChIKey
DRDVJQOGFWAVLH-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO3/c1-5(2,3)9-4(7)6-8/h8H,1-3H3,(H,6,7)

Weigh it out

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Names and synonyms

16 names · show all
  • Carbamic acid, N-hydroxy-, 1,1-dimethylethyl ester
  • Carbamic acid, hydroxy-, 1,1-dimethylethyl ester
  • Carbamic acid, hydroxy-, tert-butyl ester
  • tert-Butoxycarbonylhydroxylamine
  • N-(tert-Butoxycarbonyl)hydroxylamine
  • tert-Butyl hydroxycarbamate
  • N-(tert-Butyloxycarbonyl)hydroxylamine
  • 1,1-Dimethylethyl N-hydroxycarbamate
  • N-t-Butyloxycarbonyl hydroxylamine
  • Hydroxycarbamic acid 1,1-dimethylethyl ester
  • NSC 131086
  • NSC 144620
  • N-Hydroxycarbamic acid tert-butyl ester
  • N-Boc-hydroxylamine
  • tert-Butoxyhydroxamic acid
  • N-Boc-hydroxyamine

Work with tert-Butyl N-hydroxycarbamate

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

1,2-Bis(1,1-dimethylethyl) 1,2-hydrazinedicarboxylate16466-61-865 % similar tert-Butyl carbazate870-46-258 % similar Di-tert-butyl-iminodicarboxylate51779-32-957 % similar 1,1-Dimethylethyl 2-(1-methylethyl)hydrazinecarboxylate16689-35-348 % similar N-Boc-ethylenediamine57260-73-848 % similar N,O-Bis(tert-butoxycarbonyl)hydroxylamine85006-25-348 % similar 1,1-Dimethylethyl N-[(1S)-1-(hydroxymethyl)-2-methylpropyl]carbamate79069-14-047 % similar N-[(1,1-Dimethylethoxy)carbonyl]glycine 1,1-dimethylethyl ester111652-20-147 % similar

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

Same formula

Amyl nitrate1002-16-0 (2S,3S)-2-Amino-3-methoxybutanoic acid104195-80-4 3-Methyl-L-threonine2280-27-5 O-Methyl-L-threonine4144-02-9 Lactamide MEA5422-34-4 Isoamyl nitrate543-87-3

Elsewhere

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