4-Methylbenzamidoxime

C8H10N2OCAS 19227-13-5150.18 g/mol

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NH2NOH
AmidineOxime

Properties

Molecular formula
C8H10N2O
Molar mass
150.18 g/mol
Exact mass
150.0793 Da
Melting point
148–149 °C
logP
1.09Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
19227-13-5
SMILES
Cc1ccc(C(N)=NO)cc1
InChIKey
NKJXMLIWSJATEE-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)8(9)10-11/h2-5,11H,1H3,(H2,9,10)
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 8.50 (br s, 1H), 7.31 (d, J = 7.7 Hz, 2H), 7.15 (d, J = 7.7 Hz, 2H), 2.35 (s, 3H), 1.20 (br s, 2H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 162.0, 137.0, 134.6, 129.1, 126.0, 19.8.
[M + H]+
[M + H]+ Calcd for C8H11N2O 151.0866
[M + Na]+
[M + Na]+ Calcd for C8H10N2NaO 173.0685
[M − H]−
[M − H]− Calcd for C8H9N2O 149.0720
Elemental analysis
Anal. Calcd for C8H10N2O: C, 63.98; H, 6.71; N, 18.65.

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Names and synonyms

14 names · show all
  • Benzenecarboximidamide, N-hydroxy-4-methyl-
  • p-Toluamidoxime
  • N-Hydroxy-4-methylbenzenecarboximidamide
  • p-Tolamidoxime
  • p-Methylbenzamidoxime
  • p-Toluamide oxime
  • p-Tolylamidoxime
  • N-Hydroxy-4-methylbenzamidine
  • 4-Methyl-N-hydroxybenzamidine
  • N′-Hydroxy-4-methylbenzamidine
  • N′-Hydroxy-4-methylbenzenecarboximidamide
  • 4-Methylbenzamide oxime
  • N′-Hydroxy-4-methylbenzimidamide
  • N-Hydroxy-4-methylbenzimidamide

Work with 4-Methylbenzamidoxime

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

4-Fluorobenzamidoxime22179-78-860 % similar 4-Chlorobenzamidoxime5033-28-360 % similar 4-Bromo-N'-hydroxybenzenecarboximidamide69113-23-160 % similar N-Hydroxyisonicotinamidine1594-57-657 % similar N-Hydroxy-4-(trifluoromethyl)benzenecarboximidamide22179-86-856 % similar 3-Fluoro-4-methylbenzamide oxime238742-80-853 % similar 4-(Trifluoromethoxy)benzamidoxime56935-71-850 % similar 4-Methylbenzamide619-55-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Aminoacetanilide102-28-3 Acetylphenylhydrazine114-83-0 4-Aminoacetanilide122-80-5 3-Methylbenzohydrazide13050-47-0 N,N-Dimethyl-4-nitrosoaniline138-89-6 3-Amino-4-methylbenzamide19406-86-1 3-Amino-N-methylbenzamide25900-61-2 2-Acetyl-3-ethylpyrazine32974-92-8

Elsewhere

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