O-(Tetrahydropyran-2-yl)hydroxylamine

HCID 5142091CAS 6723-30-4

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Grundinformationen

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 Å²
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

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.