HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl-5-amino-4-oxovalerathydrochlorid
METHYL 5-AMINOLEVULINATE HYDROCHLORIDE · Methyl 5-amino-4-oxopentanoate hydrochloride · 5-ALA MEL · H-TIC(OTBU)-OH APTS · Methyl Aminolevulinate HCl · Methyl 5-Aminolevulinate HCl · ALA METHYL ESTER HYDROCHLORIDE · Aminolevulinic Acid Impurity 1
Identifikatoren & physikalische Daten
| CAS No. | 79416-27-6 |
|---|---|
| Summenformel | C6H12ClNO3 |
| Durchschnittliche Molmasse | 181,62 g/mol |
| Monoisotopische Masse | 181,05057092 g/mol |
| SMILES | COC(=O)CCC(=O)CN.Cl |
| InChIKey | UJYSYPVQHFNBML-UHFFFAOYSA-N |
| PubChem CID | 157921 |
| ChEMBL | CHEMBL1201093 |
| EC No. | 279-151-1 |
| DTXSID | DTXSID4045630 |
| Lokaler Name | Methyl-5-amino-4-oxovalerathydrochlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 69,4 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 133 |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Schmelzpunkt | 119-121° |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly), Water (Slightly)very faint turbidity |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Stabilität | Hygroscopic |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN PROTECTINGANTIOXIDANTANTIMICROBIAL |
| InChI | InChI=1S/C6H11NO3.ClH/c1-10-6(9)3-2-5(8)4-7/h2-4,7H2,1H3 |
| InChIKey | UJYSYPVQHFNBML-UHFFFAOYSA-N |
| SMILES | C(=O)(CN)CCC(=O)OC.Cl |
| CAS Datenbank | 79416-27-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29225090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
5-Aminolevulinic acid methyl ester hydrochloride is used in photodynamic therapy.