[(1,1-Dimethylethoxy)carbonyl]azanyl 2,4,6-trimethylbenzenesulfonate

C14H21NO5SCAS 36016-39-4315.38 g/mol

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Oxime

Properties

Molecular formula
C14H21NO5S
Molar mass
315.38 g/mol
Exact mass
315.1140 Da
Melting point
104–105.5 °C
logP
2.96Crippen estimate
Polar surface area
85.2 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
36016-39-4
SMILES
Cc1cc(C)c(S(=O)(=O)ON=C(O)OC(C)(C)C)c(C)c1
InChIKey
WVMDSNGINQNHLN-UHFFFAOYSA-N
InChI
InChI=1S/C14H21NO5S/c1-9-7-10(2)12(11(3)8-9)21(17,18)20-15-13(16)19-14(4,5)6/h7-8H,1-6H3,(H,15,16)

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Names and synonyms

9 names
  • Benzenesulfonic acid, 2,4,6-trimethyl-, [(1,1-dimethylethoxy)carbonyl]azanyl ester
  • Carbamic acid, [[(2,4,6-trimethylphenyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester
  • Carbamic acid, hydroxy-, tert-butyl ester, 2-mesitylenesulfonate
  • N-tert-Butoxycarbonyl-O-(mesitylsulfonyl)hydroxylamine
  • NSC 620029
  • 1,1-Dimethylethyl [[(2,4,6-trimethylphenyl)sulfonyl]oxy]carbamate
  • tert-Butyl (((mesityl)sulfonyl)oxy)carbamate
  • [(2-Methylpropan-2-yl)oxycarbonylamino] 2,4,6-trimethylbenzenesulfonate
  • 1,1-Dimethylethyl (((2,4,6-trimethylphenyl)sulphonyl)oxy)carbamate

Work with [(1,1-Dimethylethoxy)carbonyl]azanyl 2,4,6-trimethylbenzenesulfonate

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

Ethyl N-[[(2,4,6-trimethylphenyl)sulfonyl]oxy]ethanimidate38202-27-651 % similar Boc-arg(mts)-oh68262-71-539 % similar N,O-Bis(tert-butoxycarbonyl)hydroxylamine85006-25-338 % similar N-[(1,1-Dimethylethoxy)carbonyl]-4-methyl-D-phenylalanine80102-27-838 % similar 2,4,6-Trimethylbenzenesulfonic acid3453-83-638 % similar 1,1-Dimethylethyl N-(aminosulfonyl)carbamate148017-28-138 % similar Boc-L-2-methylphenylalanine114873-05-137 % similar 1,2-Bis(1,1-dimethylethyl) 1,2-hydrazinedicarboxylate16466-61-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Dimethylethyl N-[(1R)-2-[(methylsulfonyl)oxy]-1-phenylethyl]carbamate102089-75-8

Elsewhere

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