HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Nitro-3-phenyl-L-alanin
(S)-2-AMINO-3-(4-NITROPHENYL)PROPANOIC ACID · L-4-NITROPHENYLALANINE · 4-NITRO-L-PHENYLALANINE · 4-NO2-Phe · L-4-NITROPHE · L-Phe(4-NO2) · (P-NO2)PHE-OH · L-4-NO2-Phe-OH
Identifikatoren & physikalische Daten
| CAS No. | 949-99-5 |
|---|---|
| Summenformel | C9H10N2O4 |
| Durchschnittliche Molmasse | 210,19 g/mol |
| Monoisotopische Masse | 210,0640568 g/mol |
| SMILES | N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O |
| InChIKey | GTVVZTAFGPQSPC-QMMMGPOBSA-N |
| PubChem CID | 13706 |
| ChEBI | CHEBI:45229 |
| EC No. | 213-446-8 |
| DTXSID | DTXSID401020875 |
| Lokaler Name | 4-Nitro-3-phenyl-L-alanin |
Chemische & physikalische Eigenschaften
| XLogP | -1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 109 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 243 |
| Schmelzpunkt | 236-239°C (dec.) |
| Siedepunkt | 414.1±35.0 °C(Predicted) |
| Dichte | 1.408±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 2.12±0.10(Predicted) |
| InChI | InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1 |
| InChIKey | GTVVZTAFGPQSPC-QMMMGPOBSA-N |
| SMILES | C(O)(=O)[C@H](CC1=CC=C([N+]([O-])=O)C=C1)N |
| CAS Datenbank | 949-99-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (84.8%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (84.8%) |
| UN-Transportnummer | 2811 |
| Zollcode | 29224999 |
| RTECS-Nr. | AY7400000 |
| R-Sätze (R) | 36/37/38-22-34-11 |
| Gefahrensymbole | Xn,C,F |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 26-36/37/39-22-45-16 |
Anwendungen & Verwendung
Verwenden
4-Nitro-L-phenylalanine is used in the studies on the rational manipulation of protein structures for the expansion of the genetic code with non natural amino acids into protein via in vitro translation.