2'-Aminoacetophenone
Properties
- Molecular formula
- C8H9NO
- Molar mass
- 135.17 g/mol
- Exact mass
- 135.0684 Da
- Density
- 1.115–1.121 g/mL
- 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
Hazards
Warning
- H302 Harmful if swallowed13.9% of notifiers
- H315 Causes skin irritation35% of notifiers
- H319 Causes serious eye irritation35% of notifiers
- H335 May cause respiratory irritation31.4% of notifiers
Aggregated from 137 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
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 and density.
Names and synonyms
17 names · show all
- 2′-Aminoacetophenone
- 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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
1,2-Diacetylbenzene704-00-767 % similar
3-Amino-2-hydroxyacetophenone70977-72-965 % similar
2-Amino-5-fluoroacetophenone2343-25-159 % similar
3'-Amino-2'-hydroxyacetophenone hydrochloride90005-55-359 % similar
2′-Chloroacetophenone2142-68-959 % similar
1-(2-Amino-4-methoxyphenyl)ethan-1-one42465-53-256 % similar
2′-Bromoacetophenone2142-69-055 % similar
2′-Methylacetophenone577-16-255 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.