4-Oxo-2,2,6,6-tetramethylpiperidine-1-15N-1-oxyl
Basic information
- CAS
80404-14-4- Standard SMILES
CC1(C)CC(=O)CC(C)(C)[15N]1[O]- InChIKey
WSGDRFHJFJRSFY-DETAZLGJSA-N- Molecular formula
- C9H16NO2
- Average molar mass
- 171.22 g/mol
- Monoisotopic mass
- 171.11513865
Names & identifiers
- Preferred name
- 4-Oxo-2,2,6,6-tetramethylpiperidine-1-15N-1-oxyl
- IUPAC
- [2,2,6,6-Tetramethyl-4-oxo(~15~N)piperidin-1-yl]oxidanyl
- English name
- 4-Oxo-2,2,6,6-tetramethylpiperidine-d16,1-15N-1-oxyl
- Molecular formula
- C9D16NO2*
- Molecular weight
- 187.34
Names & synonyms
4-Oxo-2,2,6,6-tetramethylpiperidine-1-15N-1-oxyl80404-14-44-Oxo-TEMPO-1-15N, 98 atom % 15N1-15N-1-oxylTEMPONE-D16,1-15N15N, 96%) (TEMPONE)4-oxo-tempo-D16-15N4-OXO-TEMPO-D16,1-15N4-Oxo-TEMPO-d16-15N,free radical4-Oxo-TEMPO-d??,1?N, free radical4-oxo-tempo-d16,1-15n, free radical4-Oxo-2,2,6,6-tetramethylpiperidine-D16
Show more names
4-Amino-2,2,6,6-tetramethylpiperidine-d17
Database identifiers
- CAS
80404-14-4- PubChem CID
- 71309342
- DTXSID
DTXSID50745838- Nikkaji
- J1.549.210D
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Melting point
- 35 °C · 35 °C (lit.)
- storage temp.
- 0 · 0-6°C
- form
- Solid
- color
- Light yellow to yellow
- InChI
- 1S/C9H16NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h5-6H2,1-4H3/i1D3,2D3,3D3,4D3,5D2,6D2,10+1
- InChIKey
- WSGDRFHJFJRSFY-ZDYDSYIGSA-N
- SMILES
- [2H]C([2H])([2H])C1([15N]([O])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C(=O)C1([2H])[2H])C([2H])([2H])[2H]
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 12 · NA.12
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses4-Oxo-2,2,6,6-tetramethylpiperidine-d16;1-15N-1-oxyl (CAS# 80404-14-4) is a useful isotopically labeled research compound.
Upstream & downstream products
Upstream raw materials
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