HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 78457Erstellt: 27. Oktober 2026
O-Benzyl-L-serin
H-ser(Obzl)-OH · H-SER(BZL)-OH · BENZYL-L-SERINE · H-L-SER(BZL)-OH · L-Serine, O-(phenylmethyl)- · Ser(bzl) · L-Ser(Bzl)-OH · SERINE(BZL)-OH
https://huagongshe.com/de/chemical/78457
Identifikatoren & physikalische Daten
| CAS No. | 4726-96-9 |
|---|
| Summenformel | C10H13NO3 |
|---|
| Durchschnittliche Molmasse | 195,21 g/mol |
|---|
| Monoisotopische Masse | 195,08954328 g/mol |
|---|
| SMILES | N[C@@H](COCc1ccccc1)C(=O)O |
|---|
| InChIKey | IDGQXGPQOGUGIX-VIFPVBQESA-N |
|---|
| PubChem CID | 78457 |
|---|
| ChEMBL | CHEMBL1235900 |
|---|
| ChEBI | CHEBI:193485 |
|---|
| EC No. | 225-220-6 |
|---|
| DTXSID | DTXSID20884107 |
|---|
| Lokaler Name | O-Benzyl-L-serin |
|---|
Chemische & physikalische Eigenschaften
| XLogP | -2 |
|---|
| Polarare Oberfläche (TPSA) | 72,6 |
|---|
| H-Brücken-Donoren | 2 |
|---|
| H-Brücken-Akzeptoren | 4 |
|---|
| Frei drehbare Bindungen | 5 |
|---|
| Schwere Atome | 14 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 178 |
|---|
| Collision Cross Section | 141.17 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]142.5 Ų [M+H]+ [CCS Type: TW |
|---|
| Schmelzpunkt | ~227 °C (dec.) |
|---|
| Siedepunkt | 359℃ |
|---|
| Dichte | 1.217 |
|---|
| Brechungsindex | 7.3 ° (C=2, 1mol/L HCl) |
|---|
| Flammpunkt | 171℃ |
|---|
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
|---|
| Löslichkeit | Aqueous Acid (Slightly), DMSO (Slightly), Methanol (Slightly), Water (Slightly) |
|---|
| Aggregatzustand | Powder |
|---|
| pKa (Säurekonstante) | 2.10±0.10(Predicted) |
|---|
| Farbe | White to off-white |
|---|
| BRN | 2114846 |
|---|
| Hauptanwendungen | peptide synthesis |
|---|
| InChI | 1S/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1 |
|---|
| InChIKey | IDGQXGPQOGUGIX-VIFPVBQESA-N |
|---|
| SMILES | N[C@@H](COCc1ccccc1)C(O)=O |
|---|
| CAS Datenbank | 4726-96-9(CAS DataBase Reference) |
|---|
| EPA chemische Informationen | L-Serine, O-(phenylmethyl)- (4726-96-9) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.WarningH315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (33.3%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| TSCA-Inventar-Status | TSCA listed |
|---|
| Zollcode | 29225090 |
|---|
| Sicherheitshinweise (S) | 24/25 |
|---|
| Lagerklasse | 13 - Non Combustible Solids |
|---|
