3'-Amino-2'-hydroxyacetophenone hydrochloride

C₈H₁₀ClNO₂CAS 90005-55-3187.62 g/mol

Open in Covalent MOL file

Ketone Phenol Primary amine

Properties

Molecular formula: C₈H₁₀ClNO₂
Molar mass: 187.62 g/mol
Exact mass: 187.0400 Da
logP: 1.60Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

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

90005-55-3

SMILES

CC(=O)C1=C(C(=CC=C1)N)O.Cl

InChIKey

BSWMUKIPTBQFPN-UHFFFAOYSA-N

InChI

InChI=1S/C8H9NO2.ClH/c1-5(10)6-3-2-4-7(9)8(6)11;/h2-4,11H,9H2,1H3;1H

Weigh it out

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

Work with 3'-Amino-2'-hydroxyacetophenone 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3-Amino-2-hydroxyacetophenone70977-72-9Free base

Similar compounds

1-(2-Aminophenyl)ethanone hydrochloride25384-14-968 % similar 2′-Aminoacetophenone551-93-959 % similar 1-(3-Bromo-2-hydroxyphenyl)ethanone1836-05-158 % similar 2',3'-Dihydroxyacetophenone28631-86-958 % similar 3-Aminosalicylic acid570-23-057 % similar 1-(3-Fluoro-2-hydroxyphenyl)ethanone699-92-355 % similar 1-(3-Amino-2-hydroxy-5-methylphenyl)ethan-1-one70977-71-853 % similar 2′-Amino-3′-hydroxyacetophenone4502-10-751 % similar

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

Same formula

2-(Chloromethyl)-3,4-dimethoxypyridine169905-10-6 4-Chloro-2,5-dimethoxyaniline6358-64-1 3-(Aminomethyl)benzoic acid hydrochloride876-03-9 5-Chloro-2,4-dimethoxyaniline97-50-7

Elsewhere

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