| CAS Number | 70785-83-0 |
| Catalog Number | AG005G5Q(AGN-PC-0IJ2TC) |
| Chemical Name | 2-Amino-1-(m-tolyl)ethanone hydrochloride |
| IUPAC Name | 2-amino-1-(3-methylphenyl)ethanone;hydrochloride |
| InChI | InChI=1S/C9H11NO.ClH/c1-7-3-2-4-8(5-7)9(11)6-10;/h2-5H,6,10H2,1H3;1H |
| InChI Key | YPTIYRQELIAXFE-UHFFFAOYSA-N |
| MDL Number | MFCD11847066 |
| Molecular Formula | C9H12ClNO |
| Molecular Weight | 185.6507 |
| SMILES | O=C(C1=CC=CC(C)=C1)CN.[H]Cl |
| Synonyms | 2-Amino-1-(m-tolyl)ethanone hydrochloride,
70785-83-0,
SCHEMBL6110148,
CTK8B6172,
DTXSID30741090,
0979AC,
ANW-52885,
AKOS015999894,
2-amino-1-m-tolylethanone hydrochloride,
SC-31836,
AX8231693,
TC-141630,
ST24021933,
2-Amino-1-(3-methylphenyl)ethan-1-one--hydrogen chloride (1/1),
C9H12ClNO,
2-Amino-1-(m-tolyl)ethanonehydrochloride,
|
| 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
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Certificate of Analysis
Lot Number