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HCID 7010Erstellt: 4. November 2026

Diethyl(methyl)(2-(3-methyl-2-phenylvaleryloxy)ethyl)ammoniumbromid

valethamate · S 78 · murel · Elist · resitan · Velamate · ediposin · epidosin

https://huagongshe.com/de/chemical/7010

Molekülstruktur von Diethyl(methyl)(2-(3-methyl-2-phenylvaleryloxy)ethyl)ammoniumbromid

Identifikatoren & physikalische Daten

CAS No.90-22-2
SummenformelC19H32BrNO2
Durchschnittliche Molmasse386,4 g/mol
Monoisotopische Masse385,16164 g/mol
SMILESCCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1.[Br-]
InChIKeyCEJGGHKJHDHLAZ-UHFFFAOYSA-M
PubChem CID7010
ChEMBLCHEMBL2107687
ChEBICHEBI:32288
EC No.201-977-8
DTXSIDDTXSID5049027
Lokaler NameDiethyl(methyl)(2-(3-methyl-2-phenylvaleryloxy)ethyl)ammoniumbromid

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)26,3
H-Brücken-Donoren0
H-Brücken-Akzeptoren3
Frei drehbare Bindungen10
Schwere Atome23
Formalladung0
Komplexität319
Schmelzpunkt120-127℃
LagerbedingungenInert atmosphere,Room Temperature
Löslichkeitalmost transparency in WaterDMSO : 100 mg/mL (258.82 mMNeed ultrasonic)
AggregatzustandPowder
FarbeWhite to Almost white
Merck14,9906
CAS Datenbank90-22-2(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302+H312+H332 (97.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Zollcode2923.90.0100