HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Methyl-DL-Alanine
N-METHYL-DL-ALANINE · n-methylalanine · H-DL-MEALA-OH · DL-N-METHYLALANINE · Me-DL-Ala-OH · N-ME-DL-ALA-OH · N-ME-DL-ALANINE · Alanine,N-Methyl-
Identifikatoren & physikalische Daten
| CAS No. | 600-21-5 |
|---|---|
| Summenformel | C4H9NO2 |
| Durchschnittliche Molmasse | 103,12 g/mol |
| Monoisotopische Masse | 103,06332853 g/mol |
| SMILES | CNC(C)C(=O)O |
| InChIKey | GDFAOVXKHJXLEI-UHFFFAOYSA-N |
| PubChem CID | 4377 |
| ChEBI | CHEBI:143269 |
| EC No. | 857-966-9 |
| DTXSID | DTXSID40902458 |
Chemische & physikalische Eigenschaften
| XLogP | -2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 72,1 |
| Schmelzpunkt | 317 °C |
| Siedepunkt | 190.1±23.0 °C(Predicted) |
| Dichte | 1.048±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | pK1:2.22(+1)pK2:10.19(0) (25°C) |
| Farbe | White to off-white |
| InChI | 1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7) |
| InChIKey | GDFAOVXKHJXLEI-UHFFFAOYSA-N |
| SMILES | CNC(C)C(O)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2922498590 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
N-Methyl-DL-alanine is one of the potential sensitive and specific biomarkers for migraine.