tert-Butyl N-(furan-3-yl)carbamate

C₉H₁₃NO₃CAS 56267-48-2183.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₃NO₃
Molar mass: 183.21 g/mol
Exact mass: 183.0895 Da
Melting point: 135–137 °C
logP: 2.64Crippen estimate
Polar surface area: 55.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

56267-48-2

SMILES

CC(C)(C)OC(O)=Nc1ccoc1

InChIKey

SBFLPNJYWRKWFT-UHFFFAOYSA-N

InChI

InChI=1S/C9H13NO3/c1-9(2,3)13-8(11)10-7-4-5-12-6-7/h4-6H,1-3H3,(H,10,11)

Weigh it out

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

Names and synonyms

5 names

1,1-Dimethylethyl N-3-furanylcarbamate
Carbamic acid, N-3-furanyl-, 1,1-dimethylethyl ester
Carbamic acid, 3-furanyl-, 1,1-dimethylethyl ester
tert-Butyl 3-furancarbamate
tert-Butyl 3-furanylcarbamate

Work with tert-Butyl N-(furan-3-yl)carbamate

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-hydrazinedicarboxylate16466-61-845 % similar 1,1-Dimethylethyl N-(2-boronophenyl)carbamate115377-94-143 % similar tert-Butyl N-hydroxycarbamate36016-38-343 % similar 1,1-Dimethylethyl N-4-thiazolylcarbamate1235406-42-442 % similar tert-Butyl carbazate870-46-242 % similar 1,1-Dimethylethyl N-(4-formyl-3-pyridinyl)carbamate116026-95-039 % similar Di-tert-butyl-iminodicarboxylate51779-32-938 % similar 1,1-Dimethylethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate102089-74-738 % similar

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

Same formula

3,4,5-Trimethoxyaniline24313-88-0 (±)-Adrenaline329-65-7 (-)-3,4-Dihydroxy-α-[2-(methylamino)ethyl]benzyl alcohol51-43-4

Elsewhere

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