chempirical

1-(3-Amino-2-hydroxy-5-methylphenyl)ethan-1-one

C9H11NO2CAS 70977-71-8165.19 g/mol

Open in Covalent MOL file
H2NOHO
KetonePhenolPrimary amine

Properties

Molecular formula
C9H11NO2
Molar mass
165.19 g/mol
Exact mass
165.0790 Da
logP
1.49Crippen estimate
Polar surface area
63.3 Ų
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
70977-71-8
SMILES
CC1=CC(=C(C(=C1)N)O)C(=O)C
InChIKey
UFIFDZMJARCOCP-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c1-5-3-7(6(2)11)9(12)8(10)4-5/h3-4,12H,10H2,1-2H3

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Names and synonyms

1 names
  • 3-Amino-2-hydroxy-5-methyl acetophenone

Work with 1-(3-Amino-2-hydroxy-5-methylphenyl)ethan-1-one

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-Amino-2-hydroxyacetophenone70977-72-957 % similar 2'-Hydroxy-5'-methyl-3'-nitroacetophenone66108-30-355 % similar 3'-Amino-2'-hydroxyacetophenone hydrochloride90005-55-353 % similar 2-Amino-4,6-dimethylphenol41458-65-551 % similar 2′-Hydroxy-5′-methylacetophenone1450-72-250 % similar 2′-Aminoacetophenone551-93-947 % similar 2′-Hydroxy-4′-methylacetophenone6921-64-846 % similar 3,5-Dihydroxy-4-acetyltoluene1634-34-046 % similar

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

Same formula

Ethyl N-phenylcarbamate101-99-5 Metolcarb1129-41-5 2-Amino-2-(4-methylphenyl)acetic acid13227-01-5 (+)-3-Amino-3-phenylpropanoic acid13921-90-9 2-Amino-3,5-dimethylbenzoic acid14438-32-5 1,3-Benzodioxole-5-ethanamine1484-85-1 DL-Phenylalanine150-30-1 4-Acetaminobenzyl alcohol16375-88-5

Elsewhere

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