4-Acetamido-TEMPO
Grundinformationen
- CAS
14691-89-5- Standard-SMILES
CC(=O)NC1CC(C)(C)N([O])C(C)(C)C1- InChIKey
UXBLSWOMIHTQPH-UHFFFAOYSA-N- Summenformel
- C11H21N2O2
- Durchschnittliche Molmasse
- 213,3 g/mol
- Monoisotopische Masse
- 213,16030291
Überblick
4-acetamido-TEMPO is a piperidinecarboxamide that is TEMPO carrying an acetamido group at position 4. It has a role as a radical scavenger and a radiation protective agent. It is a secondary carboxamide, a member of aminoxyls and a piperidinecarboxamide. It is functionally related to a 4-amino-TEMPO.
Namen und Bezeichner
- Bevorzugter Name
- 4-Acetamido-TEMPO
- IUPAC
- {4-[(1-Hydroxyethylidene)amino]-2,2-dimethyl-5-(propan-2-yl)pyrrolidin-1-yl}oxidanyl
- Englischer Name
- 4-ACETAMIDO-TEMPO
- Summenformel
- C11H21N2O2*
- Molmasse
- 213.3
Namen und Synonyme
4-Acetamido-TEMPOTempaceG7ABJ73L6S4-acetylamino-tempo4-N-ACETYLAMINO-TEMPOCHEBI:1806732,2,6,6-TETRAMETHYL-4-ACETAMIDOPIPERIDIN-1-OXYLRefChem:187804423-840-3604-549-21-Piperidinyloxy, 4-(acetylamino)-2,2,6,6-tetramethyl-14691-89-5
Weitere Namen anzeigen
4-Acetamido-2,2,6,6-tetramethylpiperidinyloxyACETAMINO-TEMPO4-Acetamino-Tempo4-ACETAMIDO-2,2,6,6-TEMPO4-Acetylamino-2,2,6,6-tetramet4-ACETAMIDO-TEMPO, FREE RADICAL4-Acetamido-TEMPO, free radical 97%Free Radical [Catalyst for Oxidation]
4-Acetylamino-2,2,6,6-tetramethylpiperidin-1-oxyl4-(Acetylamino)-2,2,6,6-Tetramethyl-1-PiperidinyloxyC11H21N2O2UNII-G7ABJ73L6SDTXSID60932959AKOS0159105234-Acetamido-TEMPO, free radical, 97%AS-17419
Datenbank-Bezeichner
- CAS
14691-89-5
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 33,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 243
Physikochemische Eigenschaften
- Schmelzpunkt
- 143 · 143-145 °C (lit.) 143-146 °C
- Siedepunkt
- 353.29 °C · 353.29°C (rough estimate)
- Dichte
- 1.0451 · 1.0451 (rough estimate)
- Brechungsindex
- 1.462 · 1.4620 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Soluble in ethanol, acetone, acetonitrile, methylene chloride. Insoluble in hexane, ether.
- Aggregatzustand
- powder to crystaline
- Farbe
- Light yellow to Brown
- BRN
- 3546225 · 3546225
- InChI
- InChI=1S/C11H21N2O2/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9/h9H,6-7H2,1-5H3,(H,12,14)
- InChIKey
- UXBLSWOMIHTQPH-UHFFFAOYSA-N
- SMILES
- C1(NC(=O)C)CC(N([O])C(C)(C)C1)(C)C |^1:8|
- CAS Datenbank
- 14691 · 14691-89-5(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1-Piperidinyloxy, 4-(acetylamino)-2,2,6,6-tetramethyl- (14691-89-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Warning
H302 (90.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Status: Cease Manufacture Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/8967
Tempace: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (90.5%)
Acute toxicity - category 4
Acute Tox. 4 *
Sicherheitsdaten
- F
- 9
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29339900
- risk_code
- 36/37/38-22-36/37
- hazard_code
- Xi,Xn
- safety_code
- 26-36-24/25-22
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1-Piperidinyloxy, 4-(acetylamino)-2,2,6,6-tetramethyl-: ACTIVE
Anwendungen
Verwenden4-Acetamido-TEMPO, free radical oxidizes alcohols to carbonyl compounds in the presence of TsOH.
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