rac-(3aR,6aS)-octahydropyrrolo[3,4-c]pyrrole-1,3-dione
Grundinformationen
- CAS
866319-07-5- Standard-SMILES
O=C1NC(=O)[C@@H]2CNC[C@H]12- InChIKey
TXVCGCJYCUKMIM-ZXZARUISSA-N- Summenformel
- C6H8N2O2
- Durchschnittliche Molmasse
- 140,14 g/mol
- Monoisotopische Masse
- 140,0585775
Namen und Bezeichner
- Bevorzugter Name
- rac-(3aR,6aS)-octahydropyrrolo[3,4-c]pyrrole-1,3-dione
- IUPAC
- (3aS,6aR)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
- Englischer Name
- (3aR*,6aS*)-tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione(SALTDATA: HCl 0.5H2O)
- Summenformel
- C6H8N2O2
- Molmasse
- 140.14
Namen und Synonyme
866319-07-5Rac-(3ar,6as)-octahydropyrrolo[3,4-c]pyrrole-1,3-dionerac-(3aR,6aS)-octahydropyrrolo(3,4-c)pyrrole-1,3-dioneRefChem:873808857-267-9(3aR,6aS)-Tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione(3aR*,6aS*)-tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dioneREL-(3AR,6AS)-TETRAHYDROPYRROLO[3,4-C]PYRROLE-1,3(2H,3AH)-DIONE2097520-03-9MFCD18381902rac-(3aR,6aS)-tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione(3aR,6aS)-octahydropyrrolo[3,4-c]pyrrole-1,3-dione
Weitere Namen anzeigen
(3aS,6aR)-tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dionePyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione, tetrahydro-, (3aR,6aS)-rel-(3aR*,6aS*)-tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione(SALTDATA: HCl 0.5H2O)(3aS,6aR)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione:hydrate:hydrochloride
(3aR,6aS)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione(3aS,6aR)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione(3aR,6aS)-tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione hydrochloride hydrateSCHEMBL1748796CHEMBL4578337TXVCGCJYCUKMIM-ZXZARUISSA-NAKOS006316954BS-38645
Datenbank-Bezeichner
- CAS
866319-07-5- PubChem CID
- 51072220
- ChEMBL
CHEMBL4578337- EC Number
- 857-267-9
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,6
- Polarare Oberfläche (TPSA)
- 58,2 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 182
Physikochemische Eigenschaften
- Siedepunkt
- 364.472 · 364.472±35.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.297 · 1.297±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.505 · 11.505±0.20(predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Anbieter6 Anbieter
南京思诺康科技有限公司13891683844 13891683844 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
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