HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-(2-Methylaminoethyl)indol
N-Methyltryptamine · NMT · Methyltryptamine · N-Monomethyltryptamine · 2-(1H-Indol-3-yl)-N-methylethanamine · Dipterine · dl-Methyltryptamine · Nb-Methyltryptamine
Identifikatoren & physikalische Daten
| CAS No. | 61-49-4 |
|---|---|
| Summenformel | C11H14N2 |
| Durchschnittliche Molmasse | 174,24 g/mol |
| Monoisotopische Masse | 174,11569845 g/mol |
| SMILES | CNCCc1c[nH]c2ccccc12 |
| InChIKey | NCIKQJBVUNUXLW-UHFFFAOYSA-N |
| PubChem CID | 6088 |
| ChEMBL | CHEMBL348588 |
| ChEBI | CHEBI:28136 |
| EC No. | 200-507-9 |
| DTXSID | DTXSID70209846 |
| Lokaler Name | 3-(2-Methylaminoethyl)indol |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 27,8 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 158 |
| Arzneimittel | DEA NFLIS-Drug Category -> Tryptamines |
| Löslichkeit | >26.1 [ug/mL] (The mean of the results at pH 7.4)DMF: 11 mg/mlDMSO: 5 mg/mlEthanol: 20 mg/mlEthanol:PBS(pH 7.2) (1:1): 0.5 mg/mlMethanol: 1 mg/ml |
| Schmelzpunkt | 87 - 89 °C87-89 °C(lit.) |
| Physical Description | Solid |
| Collision Cross Section | 142.5 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]142.8 Ų [M+H]+ |
| Siedepunkt | 295.23°C (rough estimate) |
| Dichte | 0.9649 (rough estimate) |
| Brechungsindex | 1.6210 (estimate) |
| Lagerbedingungen | -20°C |
| Aggregatzustand | Shiny Crystalline Powder or Flakes |
| pKa (Säurekonstante) | 17.26±0.30(Predicted) |
| Farbe | White to off-white |
| InChI | InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3 |
| InChIKey | NCIKQJBVUNUXLW-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2)C(CCNC)=C1 |
| CAS Datenbank | 61-49-4(CAS DataBase Reference) |
| NIST chemische Informationen | 1H-Indole-3-ethanamine, N-methyl-(61-49-4) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Zollcode | 29339980 |
| RTECS-Nr. | NM0450000 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Reactant for preparation of:• ;Manzamine analogues for the control of neuroinflammation and cerebral infections1• ;Serotonin 4 receptors (5-HT4) receptor agonists2• ;A sulful-containing indole alkaloid, glypetelotine3• ;Selective inhibitors of cyclin dependent kinase (CDK4)4• ;Antagonist of the human tachykinin NK-2 receptor5• ;Inhibitors of the tyrosine-specific protein kinase pp60c-src SH2 Domain6