1,3,3-Trimethyl-6-azabicyclo[3.2.1]octan

1,3,3-Trimethyl-6-azabicyclo(3.2.1)octane

HCID 103787CAS 53460-46-1

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Grundinformationen

Standard-SMILES: CC1(C)CC2CC(C)(CN2)C1
InChIKey: FRAKHUZTNLUGPB-UHFFFAOYSA-N
Summenformel: C10H19N
Durchschnittliche Molmasse: 153,26 g/mol
Monoisotopische Masse: 153,15174961

Namen und Bezeichner

Bevorzugter Name: 1,3,3-Trimethyl-6-azabicyclo(3.2.1)octane
IUPAC: 1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
Lokaler Name: 1,3,3-Trimethyl-6-azabicyclo[3.2.1]octan
Englischer Name: 1,3,3-Trimethyl-6-aza-bicyclo[3.2.1]octane
Summenformel: C10H19N
Molmasse: 153.26

Namen und Synonyme

1,3,3-TRIMETHYL-6-AZABICYCLO[3.2.1]OCTANE53460-46-11,3,3-Trimethyl-6-azabicyclo(3.2.1)octane6-Azabicyclo[3.2.1]octane, 1,3,3-trimethyl-6-Azabicyclo(3.2.1)octane, 1,3,3-trimethyl-DTXSID30886056RefChem:72218DTXCID108941591,3,3-TABO258-569-8EINECS 258-569-8MFCD00066934

Weitere Namen anzeigen

AURORA KA-5720LABOTEST-BB LT000530303,3,5-Trimethyl-7-azabicyclo[3.2.1]octane1,3,3-Trimethyl-6-aza-bicyclo[3.2.1]octane1,3,3-Trimethyl-6-azabicyclo[3.2.1]octane,97%4,4,6-Trimethyl-2,6-methanohexahydro-1H-azepine(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane(SALTDATA: FREE)

(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octanerac-(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octaneSCHEMBL55793SCHEMBL212343SCHEMBL6242412ALBB-013681SBB056751AKOS005174030

Datenbank-Bezeichner

CAS: 53460-46-1
PubChem CID: 103787
DTXSID: DTXSID30886056
EC Number: 258-569-8
Nikkaji: J295.963A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 174

Physikochemische Eigenschaften

Schmelzpunkt: 93 °C · 93°C
Siedepunkt: 266.22 °C · 266.22°C (rough estimate)
Dichte: 0.927 · 0.9270 (rough estimate)
Brechungsindex: 1.522 · 1.5220 (estimate)
storage temp.: Store at Room Tem.
EPA chemische Informationen: 6 · 6-Azabicyclo[3.2.1]octane, 1,3,3-trimethyl- (53460-46-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H400 (98.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (98.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 107 reports by companies from 4 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.