3,4-Dihydro-6,7-dimethoxyisoquinoline hydrochloride

HCID 2724664

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 20232-39-7
Standard-SMILES: COc1cc2c(cc1OC)CCN=C2.Cl
InChIKey: PQXVEYYRJHMTEV-UHFFFAOYSA-N
Summenformel: C11H14ClNO2
Durchschnittliche Molmasse: 227,69 g/mol
Monoisotopische Masse: 227,0713064

Namen und Bezeichner

Bevorzugter Name: 3,4-Dihydro-6,7-dimethoxyisoquinoline hydrochloride
IUPAC: 6,7-dimethoxy-3,4-dihydroisoquinoline;hydrochloride
Englischer Name: 6,7-Dimethoxy-3,4-dihydroisoquinoline hydrochloride
Summenformel: C11H14ClNO2
Molmasse: 227.69

Namen und Synonyme

6,7-Dimethoxy-3,4-dihydroisoquinoline hydrochloride20232-39-7Isoquinoline, 3,4-dihydro-6,7-dimethoxy-, hydrochloride (1:1)3,4-Dihydro-6,7-dimethoxyisoquinoline hydrochlorideNSC-216069WGL5C66P4JISOQUINOLINE, 3,4-DIHYDRO-6,7-DIMETHOXY-, HYDROCHLORIDENSC 216069RefChem:486184606-469-3MFCD001434926,7-dimethoxy-3,4-dihydroisoquinoline;hydrochloride

Weitere Namen anzeigen

Tetrabenazine Impurity 21.45 kgTetrabenazine Impurity 56,7-Dimethoxy-3,4-dihydroisoquinoline, HCl3,4-Dihydro-6,7-dimethoxy-isoquinoline HCl6,7-Dimethoxy-3,4-dihydroisoquinolineHClhydrate6,7-dimethoxy-3,4-dihydroisoquinolinium chloride3,4-dihydro-6,7-dimethoxy-isoquinolinhydrochloride6,7-DiMethoxy-3,4-dihydroisoquinoline hydrochlorid

3,4-dihydro-6,7-dimethoxyisoquinolinehydrochlorideNSC216069AKOS015846160CS-W0024273,4-Dihydro-6,7-dimethoxyisoquinoline HCl6,7-Dimethoxy-3,4-dihydroisoquinoline--hydrogen chloride (1/1)3,4-Dihydro-6,7-dimethoxyisoquinoline Hydrochloride Hydrate;6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium;chloride

Datenbank-Bezeichner

CAS: 20232-39-7
PubChem CID: 2724664
DTXSID: DTXSID40942339
UNII: WGL5C66P4J
EC Number: 606-469-3

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 30,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 217

Physikochemische Eigenschaften

Schmelzpunkt: 198 · 198-202 °C
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
Farbe: Pale yellow
Wasserlöslichkeit: soluble
InChI: InChI=1S/C11H13NO2.ClH/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;/h5-7H,3-4H2,1-2H3;1H
InChIKey: PQXVEYYRJHMTEV-UHFFFAOYSA-N
SMILES: C12CCN=CC=1C=C(OC)C(OC)=C2.Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.