(6S)-1,4-Diazabicyclo(4.3.0)nonane

HCID 781249CAS 93643-24-4

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Grundinformationen

Standard-SMILES: C1C[C@H]2CNCCN2C1
InChIKey: FTTATHOUSOIFOQ-ZETCQYMHSA-N
Summenformel: C7H14N2
Durchschnittliche Molmasse: 126,2 g/mol
Monoisotopische Masse: 126,11569845

Namen und Bezeichner

Bevorzugter Name: (6S)-1,4-Diazabicyclo(4.3.0)nonane
IUPAC: (8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
Englischer Name: (S)-1,4-Diazabicyclo[4.3.0]nonane
Summenformel: C7H14N2
Molmasse: 126.2

Namen und Synonyme

(6S)-1,4-Diazabicyclo[4.3.0]nonane(6S)-1,4-Diazabicyclo(4.3.0)nonaneRefChem:405234679-266-093643-24-4(S)-1,4-Diazabicyclo[4.3.0]nonane(S)-octahydropyrrolo[1,2-a]pyrazine(8aS)-octahydropyrrolo[1,2-a]pyrazine(S)-Octahydro-pyrrolo[1,2-a]pyrazine(8aS)-octahydropyrrolo[1,2-a]piperazineMFCD03787926(8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

Weitere Namen anzeigen

o[4.3.0]nonane(S)-1,4-DiazabicycL(S)-1,4-Diazabicyclo[4.3.0]nonane, 98+%Pyrrolo[1,2-a]pyrazine, octahydro-, (8aS)- (9CI)

(8aS) -octahydropyrrolo[1,2-a]pyrazineEN300-57837(8aS)-octahydrPYRROLO[1,2-A]PYRAZINE, OCTAHYDRO-, (8AS)-A847384SCHEMBL271886SCHEMBL477046SCHEMBL20601919

Datenbank-Bezeichner

CAS: 93643-24-4
PubChem CID: 781249
DTXSID: DTXSID30354765
EC Number: 679-266-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 103

Physikochemische Eigenschaften

Siedepunkt: 61 · 61-63 °C(Press: 8 Torr)
Dichte: 1.03 · 1.03±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 9.98 · 9.98±0.20(Predicted)
Aggregatzustand: liquid
Farbe: Clear, yellow
Wasserlöslichkeit: Slightly soluble in water.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (12.5%)

Sicherheitsdaten

ridadr: UN3267
hs_code: 2933998090
hazard_code: Xi
hazard_class: 8

Chemie und Industrie

Anwendungen

Verwenden(S)-1,4-Diazabicyclo[4.3.0]nonane is used as stationary phases for the separation of enantiomeric mixtures of products. It is also used as catalysts for the enantioselective synthesis of various organic compounds and drugs.