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HCID 519621Erstellt: 3. November 2026

3-Methoxy-9H-carbazole

Eftozanermin alfa · 3-methoxy-9H-carbazole · 9H-carbazole, 3-methoxy-

https://huagongshe.com/de/chemical/519621

Molekülstruktur von 3-Methoxy-9H-carbazole

Identifikatoren & physikalische Daten

CAS No.	18992-85-3
Summenformel	C13H11NO
Durchschnittliche Molmasse	197,23 g/mol
Monoisotopische Masse	197,08406397 g/mol
SMILES	COc1ccc2[nH]c3ccccc3c2c1
InChIKey	BISIQSCKDZYPLR-UHFFFAOYSA-N
PubChem CID	519621
ChEMBL	CHEMBL1173769
ChEBI	CHEBI:105806
EC No.	810-225-3
DTXSID	DTXSID80334092

Chemische & physikalische Eigenschaften

XLogP	3,7
Polarare Oberfläche (TPSA)	25
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	1
Schwere Atome	15
Formalladung	0
Komplexität	231
Schmelzpunkt	138-139 °C
Siedepunkt	392.2±15.0 °C(Predicted)
Dichte	1.232±0.06 g/cm3(Predicted)
pKa (Säurekonstante)	17.55±0.30(Predicted)
Aggregatzustand	Solid
Farbe	White to off-white
InChI	InChI=1S/C13H11NO/c1-15-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,14H,1H3
InChIKey	BISIQSCKDZYPLR-UHFFFAOYSA-N
SMILES	N1C2=C(C=CC=C2)C2=C1C=CC(OC)=C2

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 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.
Hazard Classes and Categories	Acute Tox. 4 (100%)Acute Tox. 4 (66.7%)
Zollcode	2933998090
Gefahrenklasse	IRRITANT

CAS No.

18992-85-3

Summenformel

C13H11NO

Durchschnittliche Molmasse

197,23 g/mol

Monoisotopische Masse

197,08406397 g/mol

SMILES

COc1ccc2[nH]c3ccccc3c2c1

InChIKey

BISIQSCKDZYPLR-UHFFFAOYSA-N

PubChem CID

519621

ChEMBL

CHEMBL1173769

ChEBI

CHEBI:105806

EC No.

810-225-3

DTXSID

DTXSID80334092

Chemische & physikalische Eigenschaften

XLogP

3,7

Polarare Oberfläche (TPSA)

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

231

Schmelzpunkt

138-139 °C

Siedepunkt

392.2±15.0 °C(Predicted)

Dichte

1.232±0.06 g/cm3(Predicted)

pKa (Säurekonstante)

17.55±0.30(Predicted)

Aggregatzustand

Solid

Farbe

White to off-white

InChI

InChI=1S/C13H11NO/c1-15-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,14H,1H3

InChIKey

BISIQSCKDZYPLR-UHFFFAOYSA-N

SMILES

N1C2=C(C=CC=C2)C2=C1C=CC(OC)=C2

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 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.

Hazard Classes and Categories

Acute Tox. 4 (100%)Acute Tox. 4 (66.7%)

Zollcode

2933998090

Gefahrenklasse

IRRITANT