4'-Amino-2'-hydroxyacetophenone

C₈H₉NO₂CAS 2476-29-1151.16 g/mol

Open in Covalent MOL file

Ketone Phenol Primary amine

Properties

Molecular formula: C₈H₉NO₂
Molar mass: 151.16 g/mol
Exact mass: 151.0633 Da
logP: 1.18Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2476-29-1

SMILES

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

InChIKey

QQZFVONVJPXCSQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4'-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

Similar compounds

2′-Hydroxy-4′-methylacetophenone6921-64-867 % similar 2′,4′-Dihydroxyacetophenone89-84-964 % similar 4-Aminosalicylic acid65-49-662 % similar 4'-Fluoro-2'-hydroxyacetophenone1481-27-260 % similar 1-(4-Bromo-2-hydroxyphenyl)ethan-1-one30186-18-660 % similar 1-(4-Chloro-2-hydroxyphenyl)ethanone6921-66-060 % similar Methyl 4-amino-2-hydroxybenzoate4136-97-459 % similar 4,6-Diacetylresorcinol2161-85-558 % 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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