| CAS Number | 191104-46-8 |
| Catalog Number | AG01A1QQ(AGN-PC-0O64Y6) |
| Chemical Name | 3-Amino-1-phenylbutan-2-one hydrochloride |
| IUPAC Name | 3-amino-1-phenylbutan-2-one;hydrochloride |
| InChI | InChI=1S/C10H13NO.ClH/c1-8(11)10(12)7-9-5-3-2-4-6-9;/h2-6,8H,7,11H2,1H3;1H |
| InChI Key | UKQLGHQKJOEJKH-UHFFFAOYSA-N |
| MDL Number | MFCD20134012 |
| Molecular Formula | C10H14ClNO |
| Molecular Weight | 199.6773 |
| SMILES | Cl.CC(C(CC1=CC=CC=C1)=O)N |
| Synonyms | 3-amino-1-phenylbutan-2-one hydrochloride,
191104-46-8,
MCULE-2655571103,
NE46594,
Z1483934574,
2-butanone, 3-amino-1-phenyl-, hydrochloride (1:1),
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.678g/mol |
| Monoisotopic Mass | 199.076g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number