tert-Butyl tosyloxycarbamate

C₁₂H₁₇NO₅SCAS 105838-14-0287.33 g/mol

Open in Covalent MOL file

Carbamate

Properties

Molecular formula: C₁₂H₁₇NO₅S
Molar mass: 287.33 g/mol
Exact mass: 287.0827 Da
logP: 2.14Crippen estimate
Polar surface area: 81.7 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

105838-14-0

SMILES

CC1=CC=C(C=C1)S(=O)(=O)ONC(=O)OC(C)(C)C

InChIKey

WZDPZKPHVNFUKB-UHFFFAOYSA-N

InChI

InChI=1S/C12H17NO5S/c1-9-5-7-10(8-6-9)19(15,16)18-13-11(14)17-12(2,3)4/h5-8H,1-4H3,(H,13,14)

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

Names and synonyms

1 names

N-Boc-O-tosyl hydroxylamine

Work with tert-Butyl tosyloxycarbamate

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

N-(tert-Butoxycarbonyl)-P-toluenesulfonamide18303-04-363 % similar Cyclohexylmethyl tosyloxycarbamate869111-41-157 % similar 2-(trans-4-((tert-Butoxycarbonyl)amino)cyclohexyl)ethyl 4-methylbenzenesulfonate2093293-77-556 % similar 1-(tert-Butoxycarbonyl)-4-(p-toluenesulfonyloxy)piperidine118811-07-748 % similar N-tert-Butoxycarbonyl-4-(4-toluenesulfonyloxymethyl)piperidine166815-96-946 % similar p-Toluenesulfonic anhydride4124-41-846 % similar 1,1-Dimethylethyl 4-methylbenzoate13756-42-844 % similar Methyl p-toluenesulfonate80-48-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

D-P-Methyl sulfone phenyl ethyl serinate36983-12-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook