P-Aminoacetophenone
Properties
- Molecular formula
- C8H9NO
- Molar mass
- 135.17 g/mol
- Exact mass
- 135.0684 Da
- Density
- 1.2 g/mL
- Melting point
- 106 °C
- Boiling point
- 293–295 °C
- pKa
- 2.76 (conjugate acid)
- logP
- 1.47Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin67.1% of notifiers
- H315 Causes skin irritation30.3% of notifiers
- H319 Causes serious eye irritation30.3% of notifiers
- H332 Harmful if inhaled67.7% of notifiers
- H335 May cause respiratory irritation29.7% of notifiers
Aggregated from 155 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
99-92-3SMILES
CC(=O)c1ccc(N)cc1InChIKey
GPRYKVSEZCQIHD-UHFFFAOYSA-NInChI
InChI=1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
16 names · show all
- Ethanone, 1-(4-aminophenyl)-
- Acetophenone, 4′-amino-
- Acetophenone, p-amino-
- 1-(4-Aminophenyl)ethanone
- p-Aminoacetylbenzene
- 4-Acetylaniline
- p-Acetylaniline
- 4′-Aminoacetophenone
- 1-Acetyl-4-aminobenzene
- p-Aminophenyl methyl ketone
- 4-Aminophenyl methyl ketone
- 4-Acetylphenylamine
- p-Acetylphenylamine
- NSC 3242
- T 3788
- 1-(4-Aminophenyl)ethan-1-one
Work with P-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
1,4-Diacetylbenzene1009-61-671 % similar
4,4'-Diacetylbiphenyl787-69-963 % similar
3'-Aminoacetophenone99-03-659 % similar
P-Methylacetophenone122-00-958 % similar
4,4'-Diaminobenzophenone611-98-356 % similar
Acetophenone98-86-256 % similar
1-(4-Iodophenyl)ethan-1-one13329-40-356 % similar
4-Acetylphenyl ether2615-11-456 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.