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2406-25-9 | Di-tert-butyl nitroxide
CAS No: 2406-25-9 Catalog No: AG003PRS MDL No:MFCD00008800
Product Description
Catalog Number:
AG003PRS
Chemical Name:
Di-tert-butyl nitroxide
CAS Number:
2406-25-9
Molecular Formula:
C8H18NO
Molecular Weight:
144.2346
MDL Number:
MFCD00008800
IUPAC Name:
N-tert-butyl-N-λ1-oxidanyl-2-methylpropan-2-amine
InChI:
InChI=1S/C8H18NO/c1-7(2,3)9(10)8(4,5)6/h1-6H3
InChI Key:
CKJMHSMEPSUICM-UHFFFAOYSA-N
SMILES:
[O]N(C(C)(C)C)C(C)(C)C
EC Number:
219-298-0
Properties
Complexity:
93.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.139g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.238g/mol
Monoisotopic Mass:
144.139g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
4.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Guest inclusion in cucurbiturils studied by ESR and DFT: the case of nitroxide radicals and spin adducts of DMPO and MNP. | The journal of physical chemistry. A 20120823 |
| Using cyclodextrins to encapsulate oxygen-centered and carbon-centered radical adducts: the case of DMPO, PBN, and MNP spin traps. | The journal of physical chemistry. A 20100603 |
| Molecular dynamics and partitioning of di-tert-butyl nitroxide in stratum corneum membranes: effect of terpenes. | Lipids 20100501 |
| Experimental and theoretical studies of magnetic exchange in silole-bridged diradicals. | Chemistry (Weinheim an der Bergstrasse, Germany) 20060717 |
| Combining precision spin-probe partitioning with time-resolved fluorescence quenching to study micelles. Application to micelles of pure lysomyristoylphosphatidylcholine (LMPC) and LMPC mixed with sodium dodecyl sulfate. | Chemistry and physics of lipids 20060701 |
| Calculation of solvent shifts on electronic g-tensors with the conductor-like screening model (COSMO) and its self-consistent generalization to real solvents (direct COSMO-RS). | The journal of physical chemistry. A 20060216 |
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