| CAS Number | 22241-00-5 |
| Catalog Number | AG00BPU4(AGN-PC-03IVX5) |
| Chemical Name | Ethanone, 1-(5-amino-2-methylphenyl)- (9CI) |
| IUPAC Name | 1-(5-amino-2-methylphenyl)ethanone |
| InChI | InChI=1S/C9H11NO/c1-6-3-4-8(10)5-9(6)7(2)11/h3-5H,10H2,1-2H3 |
| InChI Key | AIQBRIXHBHSDMG-UHFFFAOYSA-N |
| MDL Number | MFCD19204668 |
| Molecular Formula | C9H11NO |
| Molecular Weight | 149.1897 |
| SMILES | CC(C1=C(C)C=CC(N)=C1)=O |
| Synonyms | 22241-00-5,
1-(5-amino-2-methylphenyl)ethanone,
1-(5-amino-2-methylphenyl)ethan-1-one,
Ethanone, 1-(5-amino-2-methylphenyl)- (9CI),
SCHEMBL2314690,
1-acetyl-5-amino-2-methylbenzene,
STL220576,
ZINC39069636,
AKOS006338253,
MCULE-6272410755,
Ethanone,1-(5-amino-2-methylphenyl)-,
Ethanone, 1-(5-amino-2-methylphenyl)-,
ST45244397,
Z2469606540,
Ethanone,1- -,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.193g/mol |
| Monoisotopic Mass | 149.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number