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HCID 903Erstellt: 26. Oktober 2026

N-[2-(5-Hydroxy-1H-indol-3-yl)ethyl]acetamid

N-ACETYLSEROTONIN · N-[2-(5-HYDROXY-1H-INDOL-3-YL)ETHYL]ACETAMIDE · Normelatoni · NORMELATONIN · AKOS BC-0717 · N-Acetyl-5-HT · Acetylserotonin · ACETYL-SEROTONINE

https://huagongshe.com/de/chemical/903

Molekülstruktur von N-[2-(5-Hydroxy-1H-indol-3-yl)ethyl]acetamid

Identifikatoren & physikalische Daten

CAS No.1210-83-9
SummenformelC12H14N2O2
Durchschnittliche Molmasse218,25 g/mol
Monoisotopische Masse218,10552769 g/mol
SMILESCC(=O)NCCc1c[nH]c2ccc(O)cc12
InChIKeyMVAWJSIDNICKHF-UHFFFAOYSA-N
PubChem CID903
ChEMBLCHEMBL33103
ChEBICHEBI:17697
EC No.214-916-5
DTXSIDDTXSID00153106
Lokaler NameN-[2-(5-Hydroxy-1H-indol-3-yl)ethyl]acetamid

Chemische & physikalische Eigenschaften

XLogP0,5
Polarare Oberfläche (TPSA)65,1
H-Brücken-Donoren3
H-Brücken-Akzeptoren2
Frei drehbare Bindungen3
Schwere Atome16
Formalladung0
Komplexität257
ArzneimittelPharmaceuticals -> Listed in ZINC15
Löslichkeit>32.7 [ug/mL] (The mean of the results at pH 7.4)ethanol: 50 mg/mL
Physical DescriptionSolid
Collision Cross Section148.65 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]153.5 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]153.8 Ų [M+Na]+
Schmelzpunkt120-122 °C (lit.)
Siedepunkt556.8±40.0 °C(Predicted)
Dichte1.268±0.06 g/cm3(Predicted)
Lagerbedingungen2-8°C
Aggregatzustandpowder
pKa (Säurekonstante)10.09±0.40(Predicted)
Farbewhite
StabilitätHygroscopic
InChI1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
InChIKeyMVAWJSIDNICKHF-UHFFFAOYSA-N
SMILESCC(=O)NCCc1c[nH]c2ccc(O)cc12
CAS Datenbank1210-83-9(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (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 CategoriesAcute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)3
Zollcode29339900
Sicherheitshinweise (S)22-24/25
Lagerklasse11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

A metabolite of Melatonin (M215000).