(3-Boc-aminophenyl)boronic acid

C₁₁H₁₆BNO₄CAS 380430-68-2237.06 g/mol

Open in Covalent MOL file

Boronic acid Carbamate

Properties

Molecular formula: C₁₁H₁₆BNO₄
Molar mass: 237.06 g/mol
Exact mass: 237.1172 Da
logP: 0.71Crippen estimate
Polar surface area: 78.8 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

380430-68-2

SMILES

B(C1=CC(=CC=C1)NC(=O)OC(C)(C)C)(O)O

InChIKey

CWLNHPXWZRALFS-UHFFFAOYSA-N

InChI

InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-5-8(7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)

Weigh it out

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Work with (3-Boc-aminophenyl)boronic acid

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

tert-Butyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate330793-09-469 % similar N-Boc-M-phenylenediamine68621-88-561 % similar Boc-3-aminobenzoic acid111331-82-961 % similar t-Butyl carbanilate3422-01-360 % similar 3-Acetamidophenylboronic acid78887-39-558 % similar 1-(1,1-Dimethylethyl) 3-boronobenzoate220210-56-058 % similar 3-(Aminomethyl)-1-N-boc-aniline205318-52-157 % similar (6-((tert-Butoxycarbonyl)amino)pyridin-3-yl)boronic acid883231-20-756 % similar

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

Same formula

1,1-Dimethylethyl N-(2-boronophenyl)carbamate115377-94-1 (4-Boc-aminophenyl)boronic acid380430-49-9

Elsewhere

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