3'-Hydroxycotinine, trans-
Grundinformationen
- CAS
108450-02-8- Standard-SMILES
CN1C(=O)[C@H](O)C[C@H]1c1cccnc1- InChIKey
XOKCJXZZNAUIQN-DTWKUNHWSA-N- Summenformel
- C10H12N2O2
- Durchschnittliche Molmasse
- 192,21 g/mol
- Monoisotopische Masse
- 192,08987763
Namen und Bezeichner
- Bevorzugter Name
- 3'-Hydroxycotinine, trans-
- IUPAC
- (3R,5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
Namen und Synonyme
trans-3'-hydroxycotininetrans-3-Hydroxycotinine(3R,5S)-3-hydroxy-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-oneH7LH47Y29ADTXSID30873224CHEBI:711823'-HYDROXYCOTININE, TRANS-RefChem:789457DTXCID10820731Hydroxycotinine34834-67-8trans-3'-Hydroxy Cotinine
Weitere Namen anzeigen
(3R,5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one223655-46-73-Hydroxy-1-methyl-5-(3-pyridinyl)-2-pyrrolidinoneTrans-3-hydroxy-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)-, (3R,5S)-108450-02-8(3R-trans)-3-hydroxy-1-methyl-5-(3-pyridinyl)-2-Pyrrolidinone
Datenbank-Bezeichner
- CAS
108450-02-8、34834-67-8- PubChem CID
- 107963
- DTXSID
DTXSID30873224- ChEMBL
CHEMBL1614639- ChEBI
CHEBI:71182- UNII
- H7LH47Y29A
- EC Number
- 803-421-5
- Nikkaji
- J109.375D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,9
- Polarare Oberfläche (TPSA)
- 53,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 232
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (97.5%)
Zugehörige Reaktionen
2
Notizen zur Verbindung
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