p-Aminopropiophenone

Details

• Internal ID: f350fc61-0f1a-4e12-ba30-eeb392e2c4a1
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones
• IUPAC Name: 1-(4-aminophenyl)propan-1-one
• InChI: InChI=1S/C9H11NO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
• InChI Key: FSWXOANXOQPCFF-UHFFFAOYSA-N
• Popularity: 152 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₁NO
• Molecular Weight: 149.19 g/mol
• Exact Mass: 149.084063974 g/mol
• Topological Polar Surface Area (TPSA): 43.10 Ų
• XlogP: 1.70

Synonyms

• 70-69-9
• 1-(4-aminophenyl)propan-1-one
• p-Aminopropiophenone
• 1-(4-Aminophenyl)-1-propanone
• 4-Aminopropiophenone
• 1-Propanone, 1-(4-aminophenyl)-
• USAF uctl-1856
• Ethyl p-aminophenyl ketone
• Paraminopropiophenone
• NSC-3187
• 79GF917W6U
• DTXSID7021738
• RefChem:95920
• DTXCID601738
• 200-742-7
• Propiophenone, 4'-amino-
• MFCD00017113
• 1-Propanone,1-(4-aminophenyl)-
• NSC 3187
• WLN: ZR DV2
• 4-propionylaniline
• Propiophenone, 4-amino-
• EINECS 200-742-7
• BRN 2802691
• UNII-79GF917W6U
• AI3-14675
• HSDB 7963
• p-propionyl aniline
• NSC-404994
• Para-aminopropiophenone
• 4''-Aminopropiophenone
• NCIOpen2_003525
• 4-14-00-00139 (Beilstein Handbook Reference)
• SCHEMBL221282
• orb3026174
• SCHEMBL2643057
• CHEMBL3278330
• BDBM81782
• NSC3187
• P-AMINOPROPIOPHENONE [MI]
• 1-(4'-aminophenyl)-propan-1-one
• CAS_6270
• NSC_6270
• EBC-47303
• NSC404994
• SBB086647
• STL280257
• AKOS005208691
• FA70236
• AC-16297
• AS-19272
• SY066675
• CS-0152655
• NS00037092
• 4 inverted exclamation mark -Aminopropiophenone
• C13924
• EN300-116093
• A836965
• AE-641/00195035
• F694934
• Q4637033
• Z1203578051

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.70%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	92.09%	90.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.97%	86.33%
CHEMBL4208	P20618	Proteasome component C5	85.53%	90.00%
CHEMBL1287628	Q9Y5S8	NADPH oxidase 1	84.49%	95.48%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.68%	99.17%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	81.36%	100.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.42%	95.56%

Plants that contains it

• Strychnos cathayensis

Cross-Links

• PubChem: 6270
• LOTUS: LTS0038076
• wikiData: Q4637033