1,2,3,4-Tetrahydro-1-phenylisoquinoline

HCID 100137CAS 22990-19-8

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Grundinformationen

Standard-SMILES: c1ccc(C2NCCc3ccccc32)cc1
InChIKey: PRTRSEDVLBBFJZ-UHFFFAOYSA-N
Summenformel: C15H15N
Durchschnittliche Molmasse: 209,29 g/mol

Überblick

structure in first source

Namen und Bezeichner

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

Namen und Synonyme

22990-19-81,2,3,4-Tetrahydro-1-phenylisoquinolinePhenyl-TIQRefChem:4354761-Phenyl-1,2,3,4-tetrahydroisoquinoline1-Phenyl-1,2,3,4-tetrahydro-isoquinolineIsoquinoline, 1,2,3,4-tetrahydro-1-phenyl-MFCD02179241Solifenacin Impurity CNSC338399CHEMBL21465SCHEMBL327233

Weitere Namen anzeigen

Solifenacin Impurity 17rac Solifenacin EP Impurity A1-Phenyl-1,2,3,4-TetrahydroisoSolifenacin Related Compound 30Solifenacin Succinate interMediate E1-Phenyl-1,2,3,4-tetrhydroisoquinoline1-phenyl-1,2,3,4-tetrahydroisochinoline

rac 1-Phenyl-1,2,3,4-tetrahydroisoquinolineCS-B0307NSC-338399SB35629PD119414SY030993racemic 1-phenyl-1,2,3,4-tetrahydro-isoquinoline1-phenyl-1,2,3,4-tetrahydro-isoquinoline, AldrichCPR

Datenbank-Bezeichner

CAS: 22990-19-8
PubChem CID: 100137
ChEMBL: CHEMBL21465
EC Number: 675-478-2
Nikkaji: J641.380C

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: 98 to · 98.0 to 102.0 °C
Siedepunkt: 338.4 · 338.4±11.0 °C(Predicted)
Dichte: 1.065 · 1.065±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 8.91 · 8.91±0.40(Predicted)
Farbe: 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
InChIKey: PRTRSEDVLBBFJZ-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)C2=C(C=CC=C2)CCN1
CAS Datenbank: 22990 · 22990-19-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302 (50%): 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.