5-Methylsalicylamide

C₈H₉NO₂CAS 39506-61-1151.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₉NO₂
Molar mass: 151.16 g/mol
Exact mass: 151.0633 Da
logP: 0.80Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

39506-61-1

SMILES

CC1=CC(=C(C=C1)O)C(=O)N

InChIKey

YNAXKCRTFJQYDT-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 5-Methylsalicylamide

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-5′-methylacetophenone1450-72-262 % similar 2-Amino-5-methylbenzamide40545-33-362 % similar 5-Methylsalicylic acid89-56-562 % similar 2-Amino-4-methylbenzamide39549-79-659 % similar Methyl 5-methylsalicylate22717-57-357 % similar 2-Hydroxy-5-methylbenzophenone1470-57-155 % similar 4-Methylbenzamide619-55-650 % similar 4-Methylsalicylic acid50-85-149 % 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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