2′-Amino-3′-hydroxyacetophenone

C8H9NO2CAS 4502-10-7151.16 g/mol

Open in Covalent MOL file
OOHH2N
KetonePhenolPrimary amine

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
Melting point
179–181 °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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
4502-10-7
SMILES
CC(=O)c1cccc(O)c1N
InChIKey
DIIASMSSGMRMQF-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-5(10)6-3-2-4-7(11)8(6)9/h2-4,11H,9H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Ethanone, 1-(2-amino-3-hydroxyphenyl)-
  • Acetophenone, 2′-amino-3′-hydroxy-
  • 1-(2-Amino-3-hydroxyphenyl)ethanone
  • 2-Amino-3-hydroxyphenyl methyl ketone
  • 1-(2-Amino-3-hydroxyphenyl)ethan-1-one
  • 2'-Amino-3'-hydroxyacetophenone

Work with 2′-Amino-3′-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

Similar compounds

2'-Hydroxyacetophenone104809-67-865 % similar 2′-Hydroxyacetophenone118-93-465 % similar 2',3'-Dihydroxyacetophenone28631-86-964 % similar 3-Hydroxyanthranilic acid548-93-662 % similar 2',6'-Dihydroxyacetophenone699-83-256 % similar 3-Amino-2-hydroxyacetophenone70977-72-956 % similar 1,2-Diacetylbenzene704-00-755 % similar 2-Aminoresorcinol3163-15-352 % 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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