(3-Aminophenyl)boronic acid hemisulfate

C₆H₁₀BNO₆SCAS 66472-86-4235.02 g/mol

Open in Covalent MOL file

Boronic acid Primary amine

Properties

Molecular formula: C₆H₁₀BNO₆S
Molar mass: 235.02 g/mol
Exact mass: 235.0322 Da
logP: -1.70Crippen estimate
Polar surface area: 141.1 Å²
H-bond donors / acceptors: 5 / 5
Rotatable bonds: 1

Identifiers

CAS number

66472-86-4

SMILES

Nc1cccc(B(O)O)c1.O=S(=O)(O)O

InChIKey

XMVGYYBQCXVVHU-UHFFFAOYSA-N

InChI

InChI=1S/C6H8BNO2.H2O4S/c8-6-3-1-2-5(4-6)7(9)10;1-5(2,3)4/h1-4,9-10H,8H2;(H2,1,2,3,4)

Weigh it out

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

Names and synonyms

6 names

Boronic acid, B-(3-aminophenyl)-, sulfate (2:1)
Boronic acid, (3-aminophenyl)-, sulfate (2:1)
(m-Aminophenyl)boronic acid hemisulfate
(3-Aminophenyl)boric acid hemisulfate
Bis[3-dihydroxyboranyl)benzenaminium] sulfate
(3-Aminophenyl)boronic acid sulfate (2:1)

Work with (3-Aminophenyl)boronic acid hemisulfate

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

3-Aminophenylboronic acid30418-59-873 % similar 1,3-Phenylenediamine sulfate541-70-868 % similar 3-Aminophenylboronic acid hydrochloride85006-23-167 % similar Aniline sulfate542-16-555 % similar Benzene-1,4-diamine; hydroxy hydrogen sulfite16245-77-550 % similar 2-Chloro-1,4-diaminobenzene monosulfate61702-44-148 % similar C.I. Oxidation base 13A6219-71-248 % similar Phenol, 2,4-diamino-, sulfate (1:?)74283-34-445 % similar

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

Elsewhere

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