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100326-46-3,MFCD00190466
Catalog No.:AA0001JM
100326-46-3 | 1-Piperidinyl-3,3,4,5,5-d5-oxy, 4-hydroxy-2,2,6,6-tetra(methyl-d3)-
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100mg
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500mg
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  • Technical Information
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Technical Information
Catalog Number:
AA0001JM
Chemical Name:
1-Piperidinyl-3,3,4,5,5-d5-oxy, 4-hydroxy-2,2,6,6-tetra(methyl-d3)-
CAS Number:
100326-46-3
Molecular Formula:
C9HD17NO2
Molecular Weight:
189.3495
MDL Number:
MFCD00190466
IUPAC Name:
3,3,4,5,5-pentadeuterio-1-λ1-oxidanyl-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-ol
InChI:
InChI=1S/C9H18NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11H,5-6H2,1-4H3/i1D3,2D3,3D3,4D3,5D2,6D2,7D
InChI Key:
UZFMOKQJFYMBGY-DEMDKEALSA-N
SMILES:
[O]N1C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C(C(C1(C([2H])([2H])[2H])C([2H])([2H])[2H])([2H])[2H])([2H])O
Properties
Computed Properties
 
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.24g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
17  
Molecular Weight:
189.352g/mol
Monoisotopic Mass:
189.24g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
4-Hydroxy-TEMPO-d17 
100326-46-3 
{4-Hydroxy-2,2,6,6-tetrakis[(~2~H_3_)methyl](~2~H_5_)piperidin-1-yl}oxidanyl 
UZFMOKQJFYMBGY-DEMDKEALSA-N 
TEMPOL-d17 
CTK8F6053 
DTXSID90583897 
AKOS015910643 
1-Piperidinyl-3,3,4,5,5-d5-oxy,4-hydroxy-2,2,6,6-tetra(methyl-d3)- (9CI) 
4-Hydroxy-2,2,6,6-tetramethylpiperidine-d17-1-oxyl 
4-Hydroxy-TEMPO-d17, 97 atom % D, 95% (CP) 
I14-40058 
Literature
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