Basic information
- CAS
14691-89-5- Standard SMILES
CC(=O)NC1CC(C)(C)N([O])C(C)(C)C1- InChIKey
UXBLSWOMIHTQPH-UHFFFAOYSA-N- Molecular formula
- C11H21N2O2
- Average molar mass
- 213.3 g/mol
- Monoisotopic mass
- 213.16030291
Overview
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.
Names & identifiers
- Preferred name
- 4-Acetamido-TEMPO
- IUPAC
- {4-[(1-Hydroxyethylidene)amino]-2,2-dimethyl-5-(propan-2-yl)pyrrolidin-1-yl}oxidanyl
- English name
- 4-ACETAMIDO-TEMPO
- Molecular formula
- C11H21N2O2*
- Molecular weight
- 213.3
Names & synonyms
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
Show more names
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
Database identifiers
- CAS
14691-89-5
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 33.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 143 · 143-145 °C (lit.) 143-146 °C
- Boiling point
- 353.29 °C · 353.29°C (rough estimate)
- Density
- 1.0451 · 1.0451 (rough estimate)
- refractive index
- 1.462 · 1.4620 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in ethanol, acetone, acetonitrile, methylene chloride. Insoluble in hexane, ether.
- form
- powder to crystaline
- color
- 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 DataBase Reference
- 14691 · 14691-89-5(CAS DataBase Reference)
- FDA UNII
- 7 ABJ73L6S · G7ABJ73L6S
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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)
Hazard information
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 *
Safety data
- F
- 9
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29339900
- risk_code
- 36/37/38-22-36/37
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36-24/25-22
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Piperidinyloxy, 4-(acetylamino)-2,2,6,6-tetramethyl-: ACTIVE
Applications
Uses4-Acetamido-TEMPO, free radical oxidizes alcohols to carbonyl compounds in the presence of TsOH.
General Description4-Acetamido-2,2,6,6-tetramethylpiperidine 1-oxyl undergoes one-electron oxidation and reduction reactions. Reaction products were analyzed by 1H, 13C and 15N NMR spectral data.
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）
Related reactions
4 records
Compound notes
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