CAS Number167479-78-9
Synonyms(L)-4-Cyanophenylalanine; 4-Cyanophenylalanine; (S)-2-Amino-3-(4-cyanophenyl)propanoic acid; para-Cyano-L-phenylalanine; p-cyano-phenylalanine; (2S)-2-amino-3-(4-cyanophenyl)propanoic acid; L-4-Cyanophenylalanine; MFCD00270363
Molecular FormulaC10H10N2O2
Molecular Weight190.2
Density1.3±0.1 g/cm3
Boiling Point394.1±37.0 °C at 760 mmHg
Melting Point-243ºC
Appearancewhite powder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 167479-78-9 |
| Catalog No. | 2A-9073345 |
| Chinese Name | (S)-2-氨基-3-(4-氰基苯基)丙酸 |
| Synonyms | (L)-4-Cyanophenylalanine; 4-Cyanophenylalanine; (S)-2-Amino-3-(4-cyanophenyl)propanoic acid; para-Cyano-L-phenylalanine; p-cyano-phenylalanine; (2S)-2-amino-3-(4-cyanophenyl)propanoic acid; L-4-Cyanophenylalanine; MFCD00270363 |
| Molecular Formula | C10H10N2O2 |
| Molecular Weight | 190.2 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 394.1±37.0 °C at 760 mmHg |
| Melting Point | -243ºC |
| Appearance | white powder |
| Storage Condition | -15°C |
| HTC | 2926909090 |
| PubChem ID | 3189590 |
| SMILES | N#Cc1ccc(CC(N)C(=O)O)cc1 |
| InChI | InChI=1S/C10H10N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1 |
| InChI Key | KWIPUXXIFQQMKN-VIFPVBQESA-N |
| Use of | health and chemical hazard data given on this sheet. Storage:Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Not specified Appearance: Boiling point:No data Melting point:No data Flash point:No data Molecular formula:C10H10N2O2 Molecular weight:190.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Proper shipping name: NITRILES, TOXIC, SOLID, N.O.S. (L-(S)-4-Cyanophenylalanine) Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Safety Information Hazard Codes Xi HS Code 2926909090 Synthetic Route 2-acetamido-3-(... CAS#:146664-08-6 4-Cyanophenylalanine CAS#:167479-78-9 Literature: Pearson, Daniel A.; Lister-James, John; McBride, William J.; Wilson, David M.; Martel, Lawrence J.; Civitello, Edgar R.; Dean, Richard T. Journal of Medicinal Chemistry, 1996 , vol. 39, # 7 p. 1372 - 1382 4-Cyanobenzyl b... CAS#:17201-43-3 4-Cyanophenylalanine CAS#:167479-78-9 Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 9, # 17 p. 2483 - 2486 p-Tolunitrile CAS#:104-85-8 4-Cyanophenylalanine CAS#:167479-78-9 Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 9, # 17 p. 2483 - 2486 Precursor & DownStream Precursor 3 CAS#:146664-08-6 2-acetamido-3-(... CAS#:17201-43-3 4-Cyanobenzyl b... CAS#:104-85-8 p-Tolunitrile DownStream 2 CAS#:131724-45-3 Boc-Phe(4-CN)-OH CAS#:173963-93-4 Fmoc-Phe(4-CN)-OH |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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