3′-Aminoacetophenone
Properties
- Molecular formula
- C8H9NO
- Molar mass
- 135.17 g/mol
- Exact mass
- 135.0684 Da
- Melting point
- 98.5 °C
- Boiling point
- 289.5 °C
- logP
- 1.47Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Identifiers
CAS number
99-03-6SMILES
CC(=O)c1cccc(N)c1InChIKey
CKQHAYFOPRIUOM-UHFFFAOYSA-NInChI
InChI=1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
13 names · show all
- Ethanone, 1-(3-aminophenyl)-
- Acetophenone, 3′-amino-
- 1-(3-Aminophenyl)ethanone
- m-Aminoacetylbenzene
- β-Aminoacetophenone
- m-Aminoacetophenone
- m-Acetylaniline
- 3-Acetylaniline
- 1-Acetyl-3-aminobenzene
- 3-Acetylphenylamine
- NSC 7637
- 3-Methylcarbonylaniline
- 1-(3-Aminophenyl)ethan-1-one
Work with 3′-Aminoacetophenone
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,3-Diacetylbenzene6781-42-669 % similar
3,3′-Diaminobenzophenone611-79-062 % similar
3′-Fluoroacetophenone455-36-758 % similar
3′-Methylacetophenone585-74-058 % similar
1-(3-Chlorophenyl)ethanone99-02-558 % similar
1-(3-Aminophenyl)-1-propanone1197-05-358 % similar
3-Hydroxyacetophenone121-71-156 % similar
3-Iodoacetophenone14452-30-356 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds