(4-Boc-aminophenyl)boronic acid

C11H16BNO4CAS 380430-49-9237.06 g/mol

Open in Covalent MOL file
BNHOOHOHO
Boronic acidCarbamate

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 10 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
380430-49-9
SMILES
B(C1=CC=C(C=C1)NC(=O)OC(C)(C)C)(O)O
InChIKey
UBVOLHQIEQVXGM-UHFFFAOYSA-N
InChI
InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-8(5-7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)

Weigh it out

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Work with (4-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 [4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]carbamate330793-01-666 % similar (4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-266 % similar (6-((tert-Butoxycarbonyl)amino)pyridin-3-yl)boronic acid883231-20-765 % similar 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid489446-42-664 % similar t-Butyl carbanilate3422-01-362 % similar tert-Butyl N-(4-bromophenyl)-carbamate131818-17-262 % similar tert-Butyl (4-aminophenyl)carbamate71026-66-962 % similar Boc-4-abz-oh66493-39-861 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Dimethylethyl N-(2-boronophenyl)carbamate115377-94-1 (3-Boc-aminophenyl)boronic acid380430-68-2

Elsewhere

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