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99-03-6 | 1-(3-Aminophenyl)ethanone
CAS No: 99-03-6 Catalog No: AG003IX6 MDL No:MFCD00007796
Product Description
Catalog Number:
AG003IX6
Chemical Name:
1-(3-Aminophenyl)ethanone
CAS Number:
99-03-6
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
MDL Number:
MFCD00007796
IUPAC Name:
1-(3-aminophenyl)ethanone
InChI:
InChI=1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3
InChI Key:
CKQHAYFOPRIUOM-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)C(=O)C
EC Number:
202-722-3
NSC Number:
7637
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.166g/mol
Monoisotopic Mass:
135.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Synthesis, biological evaluation, and molecular docking of N-{3-[3-(9-methyl-9H-carbazol-3-yl)-acryloyl]-phenyl}-benzamide/amide derivatives as xanthine oxidase and tyrosinase inhibitors. | Bioorganic & medicinal chemistry 20120915 |
| Synthesis and antioxidant, cytotoxicity and antimicrobial activities of novel curcumin mimics. | Journal of enzyme inhibition and medicinal chemistry 20120401 |
| Effects of a fluorescent Myosin light chain phosphatase inhibitor on prostate cancer cells. | Frontiers in oncology 20110101 |
| FT-IR, NIR-FT-Raman and gas phase infrared spectra of 3-aminoacetophenone by density functional theory and ab initio Hartree-Fock calculations. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081101 |
| 3-Acetylanilinium bromide, nitrate and dihydrogen phosphate: hydrogen-bonding motifs in one, two and three dimensions. | Acta crystallographica. Section C, Crystal structure communications 20081001 |
| Cloning of the pactamycin biosynthetic gene cluster and characterization of a crucial glycosyltransferase prior to a unique cyclopentane ring formation. | The Journal of antibiotics 20070801 |
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