3-Amino-2-hydroxyacetophenone

C8H9NO2CAS 70977-72-9151.16 g/mol

Open in Covalent MOL file
ONH2HO
KetonePhenolPrimary amine

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
Melting point
95–96 °C
logP
1.18Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
70977-72-9
SMILES
CC(=O)c1cccc(N)c1O
InChIKey
NLLYXOVHEQVWJF-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-5(10)6-3-2-4-7(9)8(6)11/h2-4,11H,9H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Ethanone, 1-(3-amino-2-hydroxyphenyl)-
  • Acetophenone, 3′-amino-2′-hydroxy-
  • 1-(3-Amino-2-hydroxyphenyl)ethanone
  • 2-Acetyl-6-aminophenol

Work with 3-Amino-2-hydroxyacetophenone

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'-hydroxyacetophenone hydrochloride90005-55-3Salt

Similar compounds

2'-Aminoacetophenone551-93-965 % similar 1-(3-Bromo-2-hydroxyphenyl)ethanone1836-05-164 % similar 2',3'-Dihydroxyacetophenone28631-86-964 % similar 3-Aminosalicylic acid570-23-062 % similar 1-(3-Fluoro-2-hydroxyphenyl)ethanone699-92-360 % similar 1-(2-Aminophenyl)ethan-1-one hydrochloride25384-14-959 % similar 1-(3-Amino-2-hydroxy-5-methylphenyl)ethan-1-one70977-71-857 % similar 2′-Amino-3′-hydroxyacetophenone4502-10-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Ethyl-4-nitrobenzene100-12-9 N-Phenylglycine103-01-5 Acetaminophen103-90-2 4-(Methylamino)benzoic acid10541-83-0 N-Methylanthranilic acid119-68-6 4-Aminophenylacetic acid1197-55-3 2,6-Dimethyl-4-nitrosophenol13331-93-6 Methyl anthranilate134-20-3

Elsewhere

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