1,1-Dimethylethyl N-(2-boronophenyl)carbamate

C11H16BNO4CAS 115377-94-1237.06 g/mol

Open in Covalent MOL file
OOHNBOHHO
Boronic acid

Properties

Molecular formula
C11H16BNO4
Molar mass
237.06 g/mol
Exact mass
237.1172 Da
logP
0.73Crippen estimate
Polar surface area
82.3 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
115377-94-1
SMILES
CC(C)(C)OC(O)=Nc1ccccc1B(O)O
InChIKey
RMEIKYSECODAHJ-UHFFFAOYSA-N
InChI
InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-7-5-4-6-8(9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)

Weigh it out

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

Names and synonyms

5 names
  • Carbamic acid, N-(2-boronophenyl)-, 1,1-dimethylethyl ester
  • Carbamic acid, (2-boronophenyl)-, C-(1,1-dimethylethyl) ester
  • N-(tert-Butoxycarbonyl)-2-amino-1-phenylboronic acid
  • [2-[(tert-Butoxycarbonyl)amino]phenyl]boronic acid
  • (2-BOC-aminophenyl)boronic acid

Work with 1,1-Dimethylethyl N-(2-boronophenyl)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

1,1-Dimethylethyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate1072944-99-046 % similar tert-Butyl N-(furan-3-yl)carbamate56267-48-243 % similar 1,1-Dimethylethyl N-(4-formyl-3-pyridinyl)carbamate116026-95-042 % similar 1,1-Dimethylethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate102089-74-742 % similar 1,2-Bis(1,1-dimethylethyl) 1,2-hydrazinedicarboxylate16466-61-842 % similar (2-[(tert-Butoxycarbonyl)amino]pyridin-3-yl)boronic acid863753-35-941 % similar 1,1-Dimethylethyl N-(2-cyano-1H-pyrrol-1-yl)carbamate937046-96-341 % similar 1,1-Dimethylethyl N-[(1R)-1-(hydroxymethyl)-2,2-diphenylethyl]carbamate155836-48-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(4-Boc-aminophenyl)boronic acid380430-49-9 (3-Boc-aminophenyl)boronic acid380430-68-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook