| CAS Number | 80877-15-2 |
| Catalog Number | AG00ID52(AGN-PC-0UI3FS) |
| Chemical Name | Dl-3-cyanophenylalanine hydrochloride |
| IUPAC Name | 2-amino-3-(3-cyanophenyl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C10H10N2O2.ClH/c11-6-8-3-1-2-7(4-8)5-9(12)10(13)14;/h1-4,9H,5,12H2,(H,13,14);1H |
| InChI Key | BDRRPFSPUOEZJA-UHFFFAOYSA-N |
| MDL Number | MFCD18785659 |
| Molecular Formula | C10H11ClN2O2 |
| Molecular Weight | 226.6595 |
| SMILES | O=C(O)C(N)CC1=CC=CC(C#N)=C1.[H]Cl |
| Synonyms | DL-3-Cyanophenylalanine HCl,
80877-15-2,
dl-3-cn-phe-oh,
2-Amino-3-(3-cyanophenyl)propanoic acid hydrochloride,
(S)-2-Amino-3-(3-cyanophenyl)propanoic acid hydrochloride,
MFCD18785659,
DL-3-Cyanophenylalanine hydrochloride,
AKOS030524872,
AS-37499,
h-dl-phe(3-cn)-oh,
3-cyano-dl-phenylalanine,
2-amino-3-(3-cyanophenyl)propanoic Acid,
2-amino-3-(3-cyano-phenyl)-propionic acid,
144799-02-0,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number