| CAS Number | 33119-71-0 |
| Catalog Number | AG00CJ8B(AGN-PC-00LWC0) |
| Chemical Name | 2-amino-1-(4-tert-butylphenyl)ethan-1-one hydrochloride |
| IUPAC Name | 2-amino-1-(4-tert-butylphenyl)ethanone;hydrochloride |
| InChI | InChI=1S/C12H17NO.ClH/c1-12(2,3)10-6-4-9(5-7-10)11(14)8-13;/h4-7H,8,13H2,1-3H3;1H |
| InChI Key | UELSSNHDPBUPHO-UHFFFAOYSA-N |
| MDL Number | MFCD09787502 |
| Molecular Formula | C12H18ClNO |
| Molecular Weight | 227.7304 |
| SMILES | Cl.CC(C1=CC=C(C(CN)=O)C=C1)(C)C |
| Synonyms | 33119-71-0,
4-tert-butylphenacylamine hydrochloride,
2-amino-1-(4-tert-butylphenyl)ethan-1-one hydrochloride,
DTXSID10535010,
MFCD09787502,
AKOS005132921,
NE43041,
4-(tert-Butyl)phenacylamine hydrochloride,
2-Amino-4'-(tert-butyl)acetophenone hydrochloride,
2-amino-1-(4-tert-butylphenyl)ethanone hydrochloride,
2-Amino-1-(4-tert-butylphenyl)ethan-1-one--hydrogen chloride (1/1),
2-Amino-4'-tert-butylacetophenone HCl,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.732g/mol |
| Monoisotopic Mass | 227.108g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number