4-Aminomethylphenylboronic acid hydrochloride

C₇H₁₁BClNO₂CAS 75705-21-4187.43 g/mol

Open in Covalent MOL file

Boronic acid Primary amine

Properties

Molecular formula: C₇H₁₁BClNO₂
Molar mass: 187.43 g/mol
Exact mass: 187.0571 Da
logP: -0.75Crippen estimate
Polar surface area: 66.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed85.1% of notifiers
H315 Causes skin irritation19.1% of notifiers
H319 Causes serious eye irritation19.1% of notifiers
H335 May cause respiratory irritation19.1% of notifiers

Aggregated from 47 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

75705-21-4

SMILES

B(C1=CC=C(C=C1)CN)(O)O.Cl

InChIKey

HUZNRXFJHYNUMV-UHFFFAOYSA-N

InChI

InChI=1S/C7H10BNO2.ClH/c9-5-6-1-3-7(4-2-6)8(10)11;/h1-4,10-11H,5,9H2;1H

Weigh it out

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

Names and synonyms

1 names

4-(Aminomethyl)benzeneboronic acid hydrochloride

Work with 4-Aminomethylphenylboronic acid hydrochloride

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

(4-Aminophenyl)boronic acid hydrochloride80460-73-755 % similar 4-(Hydroxymethyl)benzeneboronic acid59016-93-252 % similar 4-Bromobenzylamine hydrochloride26177-44-650 % similar Benzylammonium chloride3287-99-850 % similar 1,4-Benzenediboronic acid4612-26-450 % similar P-Xylylenediamine539-48-050 % similar (4-Iodophenyl)methanamine hydrochloride59528-27-750 % similar (4-Ethylphenyl)boronic acid63139-21-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(3-Aminomethylphenyl)boronic acid hydrochloride352525-94-1

Elsewhere

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