| CAS Number | 104531-20-6 |
| Catalog Number | AG007XT2(AGN-PC-0OTGR2) |
| Chemical Name | L-Phenylalanine, 4-cyano-, hydrochloride |
| IUPAC Name | (2S)-2-amino-3-(4-cyanophenyl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C10H10N2O2.ClH/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14;/h1-4,9H,5,12H2,(H,13,14);1H/t9-;/m0./s1 |
| InChI Key | XFSNISFWRBJSBI-FVGYRXGTSA-N |
| MDL Number | MFCD00270363 |
| Molecular Formula | C10H11ClN2O2 |
| Molecular Weight | 226.6595 |
| SMILES | N[C@@H](CC1=CC=C(C#N)C=C1)C(O)=O.[H]Cl |
| Synonyms | 104531-20-6,
(S)-2-Amino-3-(4-cyanophenyl)propanoic acid hydrochloride,
H-Phe(4-CN)-OH,
SCHEMBL9710930,
1017AA,
ANW-73947,
EBD2212842,
AK107170,
AX8135725,
TC-162692,
C10H11ClN2O2,
XFSNISFWRBJSBI-FVGYRXGTSA-N,
(S)-2-Amino-3-(4-cyanophenyl)propanoicacidhydrochloride,
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| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.66g/mol |
| Monoisotopic Mass | 226.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.1A^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