chempirical

p-Aminophenyl acetate

C8H9NO2CAS 13871-68-6151.17 g/mol

Open in Covalent MOL file
OONH2
EsterPrimary amine

Properties

Molecular formula
C8H9NO2
Molar mass
151.17 g/mol
Exact mass
151.0633 Da
Melting point
75 °C
Boiling point
173–174 °C (at 14 Torr)
logP
1.19Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
13871-68-6
SMILES
CC(=O)Oc1ccc(N)cc1
InChIKey
QVJWBJWRAPJXNM-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3

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

Names and synonyms

8 names
  • Phenol, 4-amino-, 1-acetate
  • Phenol, p-amino-, acetate (ester)
  • Phenol, 4-amino-, acetate (ester)
  • Phenol, p-amino-, acetate
  • p-Acetoxyaniline
  • 4-Aminophenyl acetate
  • 4-Acetoxyaniline
  • Acetic acid 4-aminophenyl ester

Work with p-Aminophenyl acetate

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-Methylphenyl acetate140-39-662 % similar Phenyl acetate122-79-261 % similar 4-Fluorophenyl acetate405-51-660 % similar 1-[4-(Acetyloxy)phenyl]ethanone13031-43-158 % similar p-Phenylphenyl acetate148-86-758 % similar Bisphenol A diacetate10192-62-856 % similar 4-Ethylphenyl acetate3245-23-656 % similar 4-(Acetyloxy)benzaldehyde878-00-256 % 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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