2′-Aminoacetophenone
Properties
- Molecular formula
- C8H9NO
- Molar mass
- 135.17 g/mol
- Exact mass
- 135.0684 Da
- Melting point
- 20 °C
- Boiling point
- 85–90 °C
- logP
- 1.47Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Identifiers
CAS number
551-93-9SMILES
CC(=O)c1ccccc1NInChIKey
GTDQGKWDWVUKTI-UHFFFAOYSA-NInChI
InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
16 names · show all
- Ethanone, 1-(2-aminophenyl)-
- Acetophenone, 2′-amino-
- Acetophenone, o-amino-
- 1-(2-Aminophenyl)ethanone
- o-Aminoacetophenone
- o-Aminoacetylbenzene
- 2-Acetylaniline
- o-Aminophenyl methyl ketone
- 1-Acetyl-2-aminobenzene
- o-Acetylaniline
- 2-Aminophenyl methyl ketone
- 2-Acetylphenylamine
- Methyl 2-aminophenyl ketone
- 2-(Methylcarbonyl)benzenamine
- NSC 8820
- 1-(2-Aminophenyl)ethan-1-one
Work with 2′-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-(2-Aminophenyl)ethanone hydrochloride25384-14-988 % similar
1,2-Diacetylbenzene704-00-767 % similar
3-Amino-2-hydroxyacetophenone70977-72-965 % similar
2′-Chloroacetophenone2142-68-959 % similar
2′-Bromoacetophenone2142-69-055 % similar
2′-Methylacetophenone577-16-255 % similar
2′-Methoxyacetophenone579-74-855 % similar
2'-Hydroxyacetophenone104809-67-853 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds