| CAS Number | 2044714-28-3 |
| Catalog Number | AG01BV4L |
| Chemical Name | 4-amino-3-(4-chlorophenyl)-4-methylpentanoic acid hydrochloride |
| IUPAC Name | 4-amino-3-(4-chlorophenyl)-4-methylpentanoic acid;hydrochloride |
| InChI | InChI=1S/C12H16ClNO2.ClH/c1-12(2,14)10(7-11(15)16)8-3-5-9(13)6-4-8;/h3-6,10H,7,14H2,1-2H3,(H,15,16);1H |
| InChI Key | MUJIUEGAFAGFBH-UHFFFAOYSA-N |
| MDL Number | MFCD30476254 |
| Molecular Formula | C12H17Cl2NO2 |
| Molecular Weight | 278.1749 |
| SMILES | Cl.CC(C(C1=CC=C(Cl)C=C1)CC(O)=O)(N)C |
| Synonyms | 4-amino-3-(4-chlorophenyl)-4-methylpentanoic acid hydrochloride,
2044714-28-3,
Z2680629396,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.173g/mol |
| Monoisotopic Mass | 277.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number