| CAS Number | 460039-36-5 |
| Catalog Number | AG01E9AR(AGN-PC-0RU96W) |
| Chemical Name | 3-Amino-5-phenylpentanoic acid hydrochloride |
| IUPAC Name | 3-amino-5-phenylpentanoic acid;hydrochloride |
| InChI | InChI=1S/C11H15NO2.ClH/c12-10(8-11(13)14)7-6-9-4-2-1-3-5-9;/h1-5,10H,6-8,12H2,(H,13,14);1H |
| InChI Key | GSSXWQCQDYAEFF-UHFFFAOYSA-N |
| MDL Number | MFCD11100268 |
| Molecular Formula | C11H16ClNO2 |
| Molecular Weight | 229.7032 |
| SMILES | Cl.NC(CC(O)=O)CCC1=CC=CC=C1 |
| Synonyms | 3-amino-5-phenylpentanoic acid hydrochloride,
SCHEMBL1927328,
CTK8H0012,
AKOS032947904,
Z2832013470,
460039-36-5,
(r)-3-amino-5-phenylpentanoic acid,
CID9813363,
3-amino-5-phenyl-pentanoic Acid Hydrochloride,
147228-37-3,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.704g/mol |
| Monoisotopic Mass | 229.087g/mol |
| Rotatable Bond Count | 5 |
| 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