Octahydropyrrolo(1,2-a)pyrazine

HCID 558578CAS 5654-83-1

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Grundinformationen

Standard-SMILES: C1CC2CNCCN2C1
InChIKey: FTTATHOUSOIFOQ-UHFFFAOYSA-N
Summenformel: C7H14N2
Durchschnittliche Molmasse: 126,2 g/mol
Monoisotopische Masse: 126,11569846

Namen und Bezeichner

Bevorzugter Name: Octahydropyrrolo(1,2-a)pyrazine
IUPAC: 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
Englischer Name: (+/-)-1,4-Diazabicyclo[4.4.0]decane
Summenformel: C7H14N2
Molmasse: 126.2

Namen und Synonyme

Octahydropyrrolo[1,2-a]pyrazine5654-83-1DTXSID10339772Octahydropyrrolo(1,2-a)pyrazineRefChem:167763DTXCID50290853639-325-31,4-Diazabicyclo[4.3.0]nonaneOctahydro-pyrrolo[1,2-a]pyrazine1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazinepyrrolo[1,2-a]pyrazine, octahydro-MFCD00082600

Weitere Namen anzeigen

OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZINEAKOS AL-24Albb-009271OCTAHYDRO-PYRIDO[1,2-A ]PYRAZINE(+/-)-1,4-Diazabicyclo[4.4.0]decane1,4-diazabiscyclo[4.3.0]nonylalkaneOctahydro-pyrrolo[1,2-a]pyrazine 2HCl1,4-diazabicyclo[4.3.0]nonane - [D4394]octahydropyrrolo[1,2-a]pyrazine(SALTDATA: FREE)

octahydropyrrolo[1,2-a]piperazine1,4-diazabicyclo(1,4-diazabicyclo[octahydro-pyrrolo(1,2-a)pyrazine1,4-diazabicyclo(4.3.0)nonaneSCHEMBL44952SCHEMBL63706SCHEMBL95184

Datenbank-Bezeichner

CAS: 5654-83-1
PubChem CID: 558578
DTXSID: DTXSID10339772
EC Number: 639-325-3

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: 74 · 74-75 °C(Press: 10 Torr)
Dichte: 0.9679 g/cm3 · 0.9679 g/cm3
storage temp.: Refrigerator, under inert atmosphere
Löslichkeit: Chloroform (Sparingly), Methanol (Slightly)
pka: 9.98 · 9.98±0.20(Predicted)
Aggregatzustand: Oil
Farbe: Colourless
CAS Datenbank: 5654 · 5654-83-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 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.