| CAS Number | 2089602-82-2 |
| Catalog Number | AG01E74D |
| Chemical Name | 5-Cyano-DL-tryptophan |
| IUPAC Name | 2-amino-3-(5-cyano-1H-indol-3-yl)propanoic acid |
| InChI | InChI=1S/C12H11N3O2/c13-5-7-1-2-11-9(3-7)8(6-15-11)4-10(14)12(16)17/h1-3,6,10,15H,4,14H2,(H,16,17) |
| InChI Key | RWUVZHFIVNNDBO-UHFFFAOYSA-N |
| MDL Number | MFCD02683928 |
| Molecular Formula | C12H11N3O2 |
| Molecular Weight | 229.2346 |
| SMILES | C1=CC2=C(C=C1C#N)C(=CN2)CC(C(=O)O)N |
| Synonyms | 5-CYANO-DL-TRYPTOPHAN,
139393-02-5,
C-8990,
2-Amino-3-(5-cyano-1H-indol-3-yl)propanoic acid,
2089602-82-2,
5-Cyanotryptophan,
AK-59028,
CTK4C1789,
DTXSID00647373,
5836AH,
AKOS022180973,
(2S)-2-AMINO-3-(5-CYANO-1H-INDOL-3-YL)PROPANOIC ACID,
C12H11N3O2,
(S)-2-Amino-3-(5-cyano-1H-indol-3-yl)propanoic acid,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.239g/mol |
| Monoisotopic Mass | 229.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number