1,2,3,9-Tetrahydro-4H-carbazol-4-one

HCID 929130CAS 15128-52-6

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Grundinformationen

Standard-SMILES: O=C1CCCc2[nH]c3ccccc3c21
InChIKey: DSXKDTZEIWTHRO-UHFFFAOYSA-N
Summenformel: C12H11NO
Durchschnittliche Molmasse: 185,22 g/mol
Monoisotopische Masse: 185,08406397

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 1,2,3,9-Tetrahydro-4H-carbazol-4-one
IUPAC: 1,2,3,9-tetrahydrocarbazol-4-one
Englischer Name: 1,2,3,9-Tetrahydro-4(H)-carbazol-4-one
Summenformel: C12H11NO
Molmasse: 185.22

Namen und Synonyme

15128-52-61,2,3,9-tetrahydro-4H-carbazol-4-oneDTXSID801290622RefChem:71380DTXCID3017212301,2,3,4-tetrahydro-4-oxocarbazole2,3-dihydro-1H-carbazol-4(9H)-one1,2,3,4-Tetrahydro-4-oxo-carbazole1,2,3,4-Tetrahydrocarbazol-4-one1,2,3,9-Tetrahydro-4(H)-carbazol-4-one1,2,3,9-tetrahydrocarbazol-4-oneMFCD00173749

Weitere Namen anzeigen

RARECHEM AK MA K053Ondansetron Impurity 1Ondansetron Impurity IOndansetron Impurity 10Ondansetron Impurity 09Tetrahydro keto carbazoleOndansetron HCl IMpurity-I1,2,3,9 Tetrahydro Carbazole1,2-Dihydro-4(3H)-carbazolone

1,2,3,9-TETRAHYDRO-4H-CARBAZOLE-4-ONE4H-Carbazol-4-one, 1,2,3,9-tetrahydro-2,3,4,9-tetrahydro-1H-carbazol-4-oneOndansetron Impurity 91,2,3,9-tetrahydrocarbazole-4-one1,2,3,9-tetrahydro-carbazol-4-one1,2,3,9-Tetrahydro-carbazole-4-oneAKOS005135868

Datenbank-Bezeichner

CAS: 15128-52-6
PubChem CID: 929130
DTXSID: DTXSID801290622
EC Number: 604-791-9
Nikkaji: J1.202.338C、J291.446H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 32,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 14
Formalladung: 0
Komplexität: 251

Physikochemische Eigenschaften

Schmelzpunkt: 224 · 224-226°C
Siedepunkt: 386.3 · 386.3±11.0 °C(Predicted)
Dichte: 1.275 · 1.275±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly, Heated), Methanol (Slightly)
Aggregatzustand: Solid
pka: 15.84 · 15.84±0.20(Predicted)
Farbe: Off-White to Beige
CAS Datenbank: 15128 · 15128-52-6(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.

Danger

H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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.