O-(Tetrahydropyran-2-yl)hydroxylamine
Grundinformationen
- CAS
6723-30-4- Standard-SMILES
NOC1CCCCO1- InChIKey
NLXXVSKHVGDQAT-UHFFFAOYSA-N- Summenformel
- C5H11NO2
- Durchschnittliche Molmasse
- 117,15 g/mol
- Monoisotopische Masse
- 117,07897859
Namen und Bezeichner
- Bevorzugter Name
- O-(Tetrahydropyran-2-yl)hydroxylamine
- IUPAC
- O-(oxan-2-yl)hydroxylamine
- Englischer Name
- O-(Tetrahydro-2H-pyran-2-yl)hydroxylamine
- Summenformel
- C5H11NO2
- Molmasse
- 117.15
Namen und Synonyme
O-(Tetrahydropyran-2-yl)hydroxylamineRefChem:855179628-109-46723-30-4O-(Tetrahydro-2H-pyran-2-yl)hydroxylamineO-(oxan-2-yl)hydroxylamineO-(Tetrahydropyran-2-yl)-hydroxylamine2-(Aminooxy)tetrahydro-2H-pyranO-Tertrahydroxy-Pyran-2-yl-HydroxylamineMFCD01321374O-tetrahydropyran-2-ylhydroxylamineO-(Tetrahydro-pyran-2-yl)-hydroxylamine
Weitere Namen anzeigen
)-hydroxyLO-(Tetrahydropyran-2-yLO-2-tetrahydro-2H-pyranhydroxylamineO-(2H-Tetrahydropyran-2-yl)hydroxylamineO-(tetrahydro-2H-pyran-2-yl)hydroxyamine
O-tetrahydropyranyl hydroxylamine2-(aminooxy)tetrahydro-2H-pyraneO-(TERTRAHYDROXY-PYRAN-2-YL)-HYDROXYLAMINEO-(2-tetrahydropyranyl)-hydroxylamineAC-4405O-(tetrahydro-2H-pyran-2-yl)-hydroxylamineHydroxylamine, O-(tetrahydro-2H-pyran-2-yl)-2-(Aminoxy)tetrahydropyran; 2-Tetrahydropyranyloxyamine; O-(Tetrahydropyran-2-yl)hydroxylamine; O-Tetrahydropyranylhydroxylamine; [(Tetrahydro-2H-pyranyl-2-yl)oxy]amine
Datenbank-Bezeichner
- CAS
6723-30-4- PubChem CID
- 5142091
- DTXSID
DTXSID50408719- ChEMBL
CHEMBL1213808- EC Number
- 628-109-4
- Nikkaji
- J1.564.419B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 44,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 67,4
Physikochemische Eigenschaften
- Schmelzpunkt
- 34 · 34-37 °C (lit.)
- Siedepunkt
- 81 °C/20 · 81 °C/20 mmHg (lit.)
- Dichte
- 1.1274 · 1.1274 (rough estimate)
- Brechungsindex
- 1.4206 · 1.4206 (estimate)
- Flammpunkt
- 180 °F · 180 °F
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- pka
- 3.28 · 3.28±0.20(Predicted)
- Aggregatzustand
- Low Melting Solid
- Farbe
- White
- InChI
- InChI=1S/C5H11NO2/c6-8-5-3-1-2-4-7-5/h5H,1-4,6H2
- InChIKey
- NLXXVSKHVGDQAT-UHFFFAOYSA-N
- SMILES
- NOC1OCCCC1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 12.2% (6 of 49) of reports.
Warning
H315 (87.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (87.8%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29329990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenO-(Tetrahydro-2H-pyran-2-yl)hydroxylamine is used as an oximation reagent in the synthesis of a marine alkaloid which shows significant inhibitory activity against mycothiol S-conjugate amidase.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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