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100326-46-3 | 1-Piperidinyl-3,3,4,5,5-d5-oxy, 4-hydroxy-2,2,6,6-tetra(methyl-d3)-
CAS No: 100326-46-3 Catalog No: AG0001ME MDL No:
Product Description
Catalog Number:
AG0001ME
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
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
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
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