| CAS Number | 7148-94-9 |
| Catalog Number | AG00FBM5(AGN-PC-0782R9) |
| Chemical Name | 2-Amino-1-(2-methylphenyl)ethan-1-one hydrochloride |
| IUPAC Name | 2-amino-1-(2-methylphenyl)ethanone;hydrochloride |
| InChI | InChI=1S/C9H11NO.ClH/c1-7-4-2-3-5-8(7)9(11)6-10;/h2-5H,6,10H2,1H3;1H |
| InChI Key | UPRMFZCAVXMYSH-UHFFFAOYSA-N |
| MDL Number | MFCD06739761 |
| Molecular Formula | C9H12ClNO |
| Molecular Weight | 185.6507 |
| NSC Number | 60485 |
| SMILES | Cl.CC1=C(C(CN)=O)C=CC=C1 |
| Synonyms | 7148-94-9,
2-amino-1-o-tolyl-ethanone hydrochloride,
2-Amino-1-o-tolylethanone hydrochloride,
2-amino-1-(2-methylphenyl)ethanone hydrochloride,
2-amino-1-(2-methylphenyl)ethan-1-one hydrochloride,
SCHEMBL6110153,
DTXSID70660034,
NSC60485,
NSC-60485,
AKOS016015650,
SC-32279,
2-amino-1-o-tolyl-ethanone, hydrochloride,
2-amino-2'-methylacetophenone hydrochloride,
X6576,
Z1741966378,
2-Amino-1-(2-methylphenyl)ethan-1-one--hydrogen chloride (1/1),
C9H12ClNO,
2-Amino-1-(o-tolyl)ethanone hydrochloride,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.651g/mol |
| Monoisotopic Mass | 185.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number