(9aR)-octahydro-1H-pyrido(1,2-a)pyrazine-1,4-dione

HCID 66936119

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Grundinformationen

CAS: 36588-50-8
Standard-SMILES: O=C1NCC(=O)N2CCCC[C@H]12
InChIKey: YXBLPNSWHUPKPH-ZCFIWIBFSA-N
Summenformel: C8H12N2O2
Durchschnittliche Molmasse: 168,19 g/mol
Monoisotopische Masse: 168,08987763

Namen und Bezeichner

Bevorzugter Name: (9aR)-octahydro-1H-pyrido(1,2-a)pyrazine-1,4-dione
IUPAC: (9aR)-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
Englischer Name: 2H-Pyrido[1,2-a]pyrazine-1,4(3H,6H)-dione, tetrahydro-, (9aR)-
Summenformel: C8H12N2O2
Molmasse: 168.19

Namen und Synonyme

36588-50-8(9aR)-octahydro-1H-pyrido(1,2-a)pyrazine-1,4-dione(9aR)-octahydro-1H-pyrido[1,2-a]pyrazine-1,4-dioneRefChem:405546967-776-9(R)-hexahydro-1H-pyrido[1,2-a]pyrazine-1,4(6H)-dione(R)-Hexahydro-4H-pyrido[1,2-a]pyrazine-1,4(6H)-dioneMFCD22666060(9aR)-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dioneSCHEMBL1189351YXBLPNSWHUPKPH-ZCFIWIBFSA-NWS-01504

Weitere Namen anzeigen

2H-Pyrido[1,2-a]pyrazine-1,4(3H,6H)-dione, tetrahydro-, (9aR)-

E71089EN300-7902480(R)-Octahydro-1,4-dioxo-2H-pyrido[1,2-a]pyrazine(9aR)-octahydro-1H-pyrido[1,2-a]piperazine-1,4-dione(9aR)-tetrahydro-2H-pyrido[1,2-a]pyrazine-1,4(3H,6H)-dione

Datenbank-Bezeichner

CAS: 36588-50-8
PubChem CID: 66936119
EC Number: 967-776-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,2
Polarare Oberfläche (TPSA): 49,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 227

Physikochemische Eigenschaften

Siedepunkt: 444 · 444.0±34.0 °C(Predicted)
Dichte: 1.26 · 1.26±0.1 g/cm3(Predicted)
pka: 13.84 · 13.84±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.