6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline

ST011972 · Prestwick_860 · AKOS BBS-00006812 · (±)-Salsolidine (>90%) · 6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline · Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl- · 6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-ium chloride · Isoquinoline, 6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydro, hydrochloride

https://huagongshe.com/de/chemical/10302

Molekülstruktur von 6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline

Identifikatoren & physikalische Daten

CAS No.	5784-74-7
Summenformel	C12H17NO2
Durchschnittliche Molmasse	207,27 g/mol
Monoisotopische Masse	207,12592878 g/mol
SMILES	COc1cc2c(cc1OC)C(C)NCC2
InChIKey	HMYJLVDKPJHJCF-UHFFFAOYSA-N
PubChem CID	10302
ChEMBL	CHEMBL320193
ChEBI	CHEBI:94438
EC No.	837-124-7
DTXSID	DTXSID20959384

Chemische & physikalische Eigenschaften

XLogP	1,7
Polarare Oberfläche (TPSA)	30,5
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	2
Schwere Atome	15
Formalladung	0
Komplexität	210
Collision Cross Section	150.9 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]150.18 Å² [M+H]+ [CCS Type: TW
Schmelzpunkt	117-119 °C
Siedepunkt	140 °C(Press: 1 Torr)
Dichte	1.034±0.06 g/cm3(Predicted)
Lagerbedingungen	Store at -20°C
Löslichkeit	Chloroform (Slightly), Ethanol (Slightly)
Aggregatzustand	A crystalline solid
pKa (Säurekonstante)	9.08±0.40(Predicted)
Farbe	Light yellow to brown
Stabilität	Hygroscopic

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)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Gefahrensymbole	Xi
Gefahrenklasse	IRRITANT

Anwendungen & Verwendung

Verwenden

(±)-Salsolidine, is a tetrahydroisoquinoline alkaloid, acts as a stereoselective competitive MAO A inhibitor.