2'-Aminoacetophenone

Details

• Internal ID: 34eb7615-1c6b-4007-a400-792eace01414
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones
• IUPAC Name: 1-(2-aminophenyl)ethanone
• SMILES (Canonical): CC(=O)C1=CC=CC=C1N
• SMILES (Isomeric): CC(=O)C1=CC=CC=C1N
• InChI: InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
• InChI Key: GTDQGKWDWVUKTI-UHFFFAOYSA-N
• Popularity: 345 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₉NO
• Molecular Weight: 135.16 g/mol
• Exact Mass: 135.068413911 g/mol
• Topological Polar Surface Area (TPSA): 43.10 Ų
• XlogP: 1.60

Synonyms

• 551-93-9
• 1-(2-Aminophenyl)ethanone
• O-AMINOACETOPHENONE
• 2-Acetylaniline
• o-Acetylaniline
• o-Aminoacetylbenzene
• 1-Acetyl-2-aminobenzene
• Acetophenone, 2'-amino-
• Ethanone, 1-(2-aminophenyl)-
• 1-(2-Aminophenyl)Ethan-1-One
• 1-(2-aminophenyl)-ethanone
• ortho-aminoacetophenone
• 2'-Amonioacetophenone
• 2-acetylphenylamine
• NSC 8820
• MFCD00007717
• o-Aminophenyl methyl ketone
• 1-(2-amino-phenyl)-ethanone
• DTXSID4052213
• NSC-8820
• 69Y77091BC
• 125507-96-2
• Ethanol, 1-(6-imino-2,4-cyclohexadien-1-ylidene)- (9CI)
• 2'-Aminoacetophenone, >=98%
• Ethanone, 1-(aminophenyl)-
• UNII-69Y77091BC
• HSDB 5494
• 6-acetyl-aniline
• 2'aminoacetophenone
• 5 kaal
• EINECS 209-002-8
• o-Amino acetophenone
• orthoaminoacetophenone
• 2`-Aminoacetophenone
• 1-acetyl-aminobenzene
• 2'-Amino acetophenone
• AI3-04095
• 1-(Aminophenyl)-Ethanone
• 1-(2'-aminophenyl)ethanone
• 2'-Aminoacetophenone, 98%
• SCHEMBL309044
• 2-(methylcarbonyl)benzeneamine
• 1-(2-Aminophenyl)ethanone #
• 1-(2-aminophenyl)-1-ethanone
• CHEMBL2251601
• DTXCID6030784
• FEMA NO. 3906
• 1-(2-aminophenyl)ethane-1-one
• CHEBI:91110
• FEMA 3906
• GTDQGKWDWVUKTI-UHFFFAOYSA-
• NSC8820
• 1-(2-Aminophenyl)ethanone, 9CI
• O-AMINOACETOPHENONE [HSDB]
• CS-D1191
• HY-I0501
• STR00923
• 2'-AMINOACETOPHENONE [FHFI]
• Tox21_304027
• AKOS000120944
• PS-4579
• NCGC00357236-01
• 2'-Aminoacetophenone, analytical standard
• 27941-88-4
• AC-25881
• BP-21338
• CAS-551-93-9
• SY001368
• A0250
• A7989
• AM20060473
• FT-0611221
• 2 inverted exclamation mark -Aminoacetophenone
• EN300-18094
• A929275
• J-507741
• W-105581
• Q27163057
• InChI=1/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
• VNJ

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	92.44%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.28%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.46%	95.56%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	85.79%	95.50%
CHEMBL3401	O75469	Pregnane X receptor	83.66%	94.73%
CHEMBL2581	P07339	Cathepsin D	80.74%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.39%	86.33%

Plants that contains it

• Castanopsis cuspidata
• Vitis vinifera

Cross-Links

• PubChem: 11086
• LOTUS: LTS0248438
• wikiData: Q27163057