4-Hydroxy-2,2,6,6-tetramethylpiperidinoxyl
1,4-Dihydroxy-2,2,6,6-tetramethylpiperidine
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Grundinformationen
- CAS
2226-96-2- Standard-SMILES
CC1(C)CC(O)CC(C)(C)N1O- InChIKey
CSGAUKGQUCHWDP-UHFFFAOYSA-N- Summenformel
- C9H19NO2
- Durchschnittliche Molmasse
- 173,25 g/mol
- Monoisotopische Masse
- 173,14157885
Überblick
hydroxylamine (protonated, reduced) form of TEMPOL; a N-hydroxyl form of LASTAR A; TEMPOL is paramagnetic radical used in NMR as SPIN LABELS whereas TEMPOL-H is not
Namen und Bezeichner
- Bevorzugter Name
- 1,4-Dihydroxy-2,2,6,6-tetramethylpiperidine
- IUPAC
- 1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
- Lokaler Name
- 4-Hydroxy-2,2,6,6-tetramethylpiperidinoxyl
- Englischer Name
- 4-Hydroxy-TEMPO
- Summenformel
- C9H18NO2*
- Molmasse
- 172.24
Namen und Synonyme
3637-10-34-Piperidinol, 1-hydroxy-2,2,6,6-tetramethyl-TEMPOL-H1,4-dihydroxy-2,2,6,6-tetramethylpiperidineV55XB6IT82DTXSID408597114-hydroxy-2,2,6,6-tetramethyl-n-hydroxypiperidineOT 674N-Hydroxy-2,2,6,6-tetramethylpiperidine4-hydroxy-2,2,6,6-tetramethyl-1-hydroxypiperidine4-hydroxy-TEMPOLHOTMP
Weitere Namen anzeigen
4-OH-TEMPOTEMPOL4-Hydroxy-TEMPOZJ-701Inhibitor 701TMPN4-HO-TEMPO4-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDINYLOXY4-hydroxy-2,2,6,6-tetramethylpiperidin-1-oxyl4-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDINE-N-OXYL
TEMPO-HRefChem:891347DTXCID80209756434-880-62,2,6,6-tetramethylpiperidine-1,4-diol1-hydroxy-2,2,6,6-tetramethyl-piperidin-4-ol1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol4-hydroxy tempo
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 43,7 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 159
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesBoiling point
Physikochemische Eigenschaften
- Schmelzpunkt
- 69 · 69-71 °C(lit.)
- Siedepunkt
- 302.58 °C · 302.58°C (rough estimate)
- Dichte
- 1.0402 · 1.0402 (rough estimate)
- Dampfdruck
- 0.025 Pa · 0.025Pa at 20℃
- Brechungsindex
- 1.435 · 1.4350 (estimate)
- Flammpunkt
- 146 ° · 146°(295°F)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 1670 g/l · 1670g/l
- Aggregatzustand
- Crystals or Crystalline Powder
- pka
- 5.07 · 5.07[at 20 ℃]
- Farbe
- Orange
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P319, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Gefahrenhinweise
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 25-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16531
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29333999
- RTECS-Nr.
- TN8991000
- risk_code
- 22-36/37/38-36/38
- Toxizität
- LD50 oral in rat: 1053mg/kg
- hazard_code
- Xn,Xi
- safety_code
- 26-36-37/39-36/37/39-27
- Speicherklasse
- 11 - Combustible Solids
- Giftige Stoffe Daten
- 2226-96-2(Hazardous Substances Data)
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
Drugs used to protect against ionizing radiation. They are usually of interest for use in radiation therapy but have been considered for other purposes, e.g. military.
Verwendung und Herstellung
General Manufacturing Information4-Piperidinol, 1-hydroxy-2,2,6,6-tetramethyl-: ACTIVE
Anwendungen
BeschreibungTEMPOL is a piperidine nitroxide and spin label with superoxide dismutase (SOD) mimetic activity. It inhibits lipid peroxidation in rat liver microsomes with 50% inhibition of microsomal lipid peroxidation (IP50) values of 117, 61, and 381 μM for peroxidation induced by iron plus NADPH, iron plus ascorbate, and t-butylhydroperoxide, respectively. TEMPOL (1 mM) inhibits production of superoxide anions by 92% via a xanthine-xanthine oxidase reaction in vitro. It reduces mean arterial pressure and heart rate in spontaneously hypertensive rats (ED50s = 70 and 63 μmol/kg, respectively) when administered intravenously. TEMPOL is a cell-permeable spin label that has been used to quantify intracellular oxygen in various cell types by electron spin resonance (ESR) spectroscopy.
VerwendenA free radical scavenger
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