Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504771914 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771914 |
| Canonical Smiles | C1=CC(=CC=C1CC(C(=O)O)N)C#N.Cl |
| IUPAC Name | (2S)-2-amino-3-(4-cyanophenyl)propanoic acid;hydrochloride |
| InChIKey | XFSNISFWRBJSBI-FVGYRXGTSA-N |
| 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 |
| Isomeric SMILES | C1=CC(=CC=C1C[C@@H](C(=O)O)N)C#N.Cl |
| Molecular Weight | 226.66 |
| Reaxy-Rn | 5778401 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5778401&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →| Refractive Index | n20D1.60 |
|---|---|
| Specific Rotation[α] | α20/D -15.0°±1°, c = 1 in water |
| Boil Point(°C) | 394.1° C at 760 mmHg |
| Melt Point(°C) | 243° C |
| Molecular Weight | 226.660 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 226.051 Da |
| Monoisotopic Mass | 226.051 Da |
| Topological Polar Surface Area | 87.100 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 248.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |