CAS 51997-51-4 4-Oxiranylmethoxy-9H-carbazole (HCID 5020710)

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Grundinformationen

CAS: 51997-51-4
Standard-SMILES: c1ccc2c(c1)[nH]c1cccc(OCC3CO3)c12
InChIKey: SVWKIGRDISDRLO-UHFFFAOYSA-N
Summenformel: C15H13NO2
Durchschnittliche Molmasse: 239,27 g/mol
Monoisotopische Masse: 239,09462866

Namen und Bezeichner

Bevorzugter Name: 4-Oxiranylmethoxy-9H-carbazole
IUPAC: 4-(oxiran-2-ylmethoxy)-9H-carbazole
Englischer Name: 4-Epoxypropanoxycarbazole
Summenformel: C15H13NO2
Molmasse: 239.27

Namen und Synonyme

51997-51-44-(2,3-Epoxypropoxy)carbazole4-(oxiran-2-ylmethoxy)-9H-carbazole4-Oxiranylmethoxy-9H-carbazole4-(2,3-Epoxypropoxy)-carbazole9H-Carbazole, 4-(oxiranylmethoxy)-4-Oxiranylmethoxy-carbazoleVX4N43V2E19H-Carbazole, 4-(2-oxiranylmethoxy)-EC 610-764-2DTXSID401306928RefChem:526115

Weitere Namen anzeigen

Epoxide of CarvedilolCarvedilol Impurity 13EpoxypropanoxycarbazoleUSP RC-D(EP-IMPURITY D)3-Epoxypropoxy)carbazoleCARVEDILOL INTERMEDIATESCarvedilol EP IMpurity D4-Epoxypropanoxycarbazol

DTXCID40981324(+-)-4-OXIRANYLMETHOXY-9H-CARBAZOLE610-764-24-Glycidyloxycarbazole4-(2-Oxiranylmethoxy)-9H-carbazol4-(2-oxiranylmethoxy)-9H-carbazoleMFCD034118844-(oxiranylmethoxy)-9h-carbazole

Datenbank-Bezeichner

CAS: 51997-51-4
PubChem CID: 5020710
DTXSID: DTXSID401306928

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 37,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 18
Formalladung: 0
Komplexität: 309

Physikochemische Eigenschaften

Schmelzpunkt: 130 · 130-132°C
Siedepunkt: 464.9 · 464.9±15.0 °C(Predicted)
Dichte: 1.327 · 1.327±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
pka: 16.59 · 16.59±0.30(Predicted)
Farbe: Off-White to Light Brown
BRN: 918742 · 918742
Major Application: pharmaceutical (small molecule)
InChI: InChI=1S/C15H13NO2/c1-2-5-12-11(4-1)15-13(16-12)6-3-7-14(15)18-9-10-8-17-10/h1-7,10,16H,8-9H2
InChIKey: SVWKIGRDISDRLO-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2)C2=C1C=CC=C2OCC1CO1
CAS Datenbank: 51997 · 51997-51-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 1.8% (1 of 57) of reports.

Warning

H317 (89.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P203, P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P318, P321, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 57 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.