(1S)-1,2,3,4-Tetrahydro-1-phenylisoquinoline (HCID 1382087)

Namen und Bezeichner

Bevorzugter Name: (1S)-1,2,3,4-Tetrahydro-1-phenylisoquinoline
IUPAC: (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline
Englischer Name: (1S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline
Summenformel: C15H15N
Molmasse: 209.29

Namen und Synonyme

(1S)-1-phenyl-1,2,3,4-tetrahydroisoquinolineN5NZ4W5RGQ(1S)-1,2,3,4-tetrahydro-1-phenylisoquinolineIsoquinoline, 1,2,3,4-tetrahydro-1-phenyl-, (1S)-RefChem:393585(+)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline445-640-5601-570-9118864-75-8(S)-1-Phenyl-1,2,3,4-tetrahydroisoquinolineSolifenacin EP Impurity AMFCD08692036

Weitere Namen anzeigen

(1S)-1-Phenyl-1(1S)-1-Phenyl-1,2,3Solifenacin Impurity A(S)-(+)-1-Phenyl-1,2,3,4-te(S)-1-1-Phenyl-1,2,3,4-TetrahySolifenacin Related Compound 11Solina New Impurity A ReferenceSolifenacin Succinate Impurity A

(S)-1,2,3,4-TETRAHYDRO-1-PHENYLISOQUINOLINEUNII-N5NZ4W5RGQ(S)-1-phenyl-1,2,3,4-tetrahydro-isoquinolineCS-B0308PD119415A1BEDP22161(S)-phenyl-1,2,3,4-tetrahydroisoquinoline

Datenbank-Bezeichner

CAS: 118864-75-8
PubChem CID: 1382087
DTXSID: DTXSID80922796
UNII: N5NZ4W5RGQ
EC Number: 445-640-5、601-570-9
Nikkaji: J825.518K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 219

Physikochemische Eigenschaften

Schmelzpunkt: 80 · 80-82°C
Siedepunkt: 338 °C · 338°C
Dichte: 1.065 · 1.065
Flammpunkt: 167 °C · 167°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 8.91 · 8.91±0.40(Predicted)
Farbe: White to Off-White
InChI: InChI=1S/C15H15N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9,15-16H,10-11H2/t15-/m0/s1
InChIKey: PRTRSEDVLBBFJZ-HNNXBMFYSA-N
SMILES: [C@H]1(C2=CC=CC=C2)C2=C(C=CC=C2)CCN1
CAS Datenbank: 118864 · 118864-75-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 5.9% (1 of 17) of reports.

Warning

H302 (23.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (17.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (70.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (17.6%): 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 17 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 17 reports by companies.；There are 8 notifications provided by 16 of 17 reports by companies with hazard statement code(s).；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.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 25-05-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/4113

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (100%)；Skin Sens. 1 (100%)；Aquatic Chronic 2 (100%)

Acute Tox. 4 (23.5%)；Skin Irrit. 2 (17.6%)；Eye Irrit. 2 (70.6%)；STOT SE 3 (17.6%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 25-05-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/4113

Sicherheitsdaten

hs_code: 2933.49.7000

Chemie und Industrie

Anwendungen · 2 Einträge

VerwendenLabelled Solifenacin intermediate

Verwenden(1S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline has been used as a lead compound for the development of drugs with dopamine β-hydroxylase inhibitory activity. In vitro studies have shown that 1-phenyl-1,2,3,4-tetrahydro-isoquinoline inhibits human serum dopamine β-hydroxylase and can be used to study the possible role of this enzyme in Parkinson's disease.