Tropane

HCID 637986CAS 529-17-9

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Grundinformationen

Standard-SMILES: CN1[C@@H]2CCC[C@H]1CC2
InChIKey: XLRPYZSEQKXZAA-OCAPTIKFSA-N
Summenformel: C8H15N
Durchschnittliche Molmasse: 125,21 g/mol

Überblick

Tropane is an alkaloid fundamental parent, a tropane alkaloid, an azabicycloalkane and a saturated organic heterobicyclic parent.

Namen und Bezeichner

Bevorzugter Name: Tropane
IUPAC: (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane

Namen und Synonyme

(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane1alphaH,5alphaH-Tropane2,3-Dihydro-8-methylnortropidineUNII-62QFG0728A62QFG0728ATROPANE [MI]N-Methyl-8-azabicyclo[3.2.1]octane8-Azabicyclo(3.2.1)octane, 8-methyl-CHEBI:356151.ALPHA.H,5.ALPHA.H-TROPANEN-METHYL-8-AZABICYCLO(3.2.1)OCTANE(1R,5S)-8-methyl-8-azabicyclo(3.2.1)octane

Weitere Namen anzeigen

DTXSID50879243RefChem:192250DTXCID101017257628-350-5529-17-98-METHYL-8-AZABICYCLO(3.2.1)OCTANETROPANETropane, 98%

Datenbank-Bezeichner

CAS: 529-17-9
PubChem CID: 637986
ChEBI: CHEBI:35615
UNII: 62QFG0728A
EC Number: 628-350-5
Nikkaji: J12.189D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 3,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 99,1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.