3-(1,2,3,6-Tetrahydropyridin-4-yl)-1H-indole

HCID 2761023CAS 38620-69-8

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Grundinformationen

Standard-SMILES: C1=C(c2c[nH]c3ccccc23)CCNC1
InChIKey: CIRSPTXGPFAXRE-UHFFFAOYSA-N
Summenformel: C13H14N2
Durchschnittliche Molmasse: 198,26 g/mol
Monoisotopische Masse: 198,11569845

Namen und Bezeichner

Bevorzugter Name: 3-(1,2,3,6-Tetrahydropyridin-4-yl)-1H-indole
IUPAC: 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
Englischer Name: 3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)-1H-INDOLE
Summenformel: C13H14N2
Molmasse: 198.26

Namen und Synonyme

3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole38620-69-83-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indoleDTXSID20375484RefChem:489204DTXCID50205447613-778-765347-55-9MFCD03695471MLS000093715SMR000029333C13H14N2

Weitere Namen anzeigen

3-(1,2,3,6-Tetrahydro-4-pyridyl)indole3-(1,2,3,6-TETRAHYDRO-4-PYRINYL)-1H-INDOLE4-(1H-Indol-3-yl)-1,2,3,6-tetrahydropyridine3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)-1H-INDOL-5-OL3-(1,2,3,6-Tetrahydropyridin-4-yl)-1H-indole 95+%3-(1,2,3,6-tetrahydropyridin-4-yl)-3H-indole - [AC80313]

CHEMBL278113-(4-1,2,5,6-tetrahydropyridyl)indole1H-Indole, 3-(1,2,3,6-tetrahydro-4-pyridinyl)-2202AEChemDiv2_0029313-(1,2,3,6-Tetrahydro-pyridin-4-yl)-1H-indole3-(1,2,3,6-tetrahydropyridine-4-yl)-1H-indoleSCHEMBL653742

Datenbank-Bezeichner

CAS: 38620-69-8、65347-55-9
PubChem CID: 2761023
DTXSID: DTXSID20375484
ChEMBL: CHEMBL27811
EC Number: 613-778-7
Nikkaji: J292.984H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 27,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 15
Formalladung: 0
Komplexität: 259

Physikochemische Eigenschaften

Schmelzpunkt: 177 · 177-182°C
storage temp.: 2 · 2-8°C
Aggregatzustand: Solid
CAS Datenbank: 65347 · 65347-55-9

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.