2-Methylene-3-quinuclidone

HCID 322973CAS 5291-26-9

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: C=C1C(=O)C2CCN1CC2
InChIKey: NHPWIWAGVOXDPU-UHFFFAOYSA-N
Summenformel: C8H11NO
Durchschnittliche Molmasse: 137,18 g/mol

Überblick

See other relationships...

Namen und Bezeichner

Bevorzugter Name: 2-Methylene-3-quinuclidone
IUPAC: 2-methylidene-1-azabicyclo[2.2.2]octan-3-one
Englischer Name: 2-methylidene-1-azabicyclo[2.2.2]octan-3-one
Summenformel: C8H11NO
Molmasse: 137.18

Namen und Synonyme

5291-26-92-methylidene-1-azabicyclo[2.2.2]octan-3-oneYBL6TAE47S2-Methylene-3-quinuclidoneMethylene quinuclidinone (mq)1-Azabicyclo(2.2.2)octan-3-one, 2-methylene-1-Azabicyclo[2.2.2]octan-3-one, 2-methylene-2-methylidene-1-azabicyclo(2.2.2)octan-3-oneRefChem:476044820-106-82-methylenequinuclidin-3-onemethylene quinuclidinone

Weitere Namen anzeigen

MFCD002040982-Methylenequinuclidin-3-one hydrochloride2-methylene-1-aza-bicyclo[2.2.2]octan-3-one2-Methylene-3-quinuclidinone2-methylene-1-Azabicyclo[2.2.2]octan-3-one2-Methylenequinuclidin-3-one HClEINECS 227-413-0UNII-YBL6TAE47S

Datenbank-Bezeichner

CAS: 5291-26-9、5832-54-2
PubChem CID: 322973
ChEMBL: CHEMBL4802231
UNII: YBL6TAE47S
EC Number: 820-106-8
Nikkaji: J215.733K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 20,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 189

Physikochemische Eigenschaften

Siedepunkt: 91 · 91-92 °C(Press: 7 Torr)
Dichte: 1.11 · 1.11±0.1 g/cm3(Predicted)
storage temp.: -20 °C, · -20°C, stored under nitrogen
pka: 4.15 · 4.15±0.20(Predicted)

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, 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.