112225-87-3 Purity
97%
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Specification
The molecular formula is C6H11NO.
The molecular weight is 113.16 g/mol.
The synonyms are 3317-61-1, DMPO, 5,5-Dimethyl-1-pyrroline-N-oxide, 5,5-Dimethyl-1-pyrroline-1-oxide.
It has a role as a neuroprotective agent and a spin trapping reagent.
The IUPAC name is 2,2-dimethyl-1-oxido-3,4-dihydropyrrol-1-ium.
The InChI is InChI=1S/C6H11NO/c1-6(2)4-3-5-7(6)8/h5H,3-4H2,1-2H3.
The InChIKey is VCUVETGKTILCLC-UHFFFAOYSA-N.
The CAS number is 3317-61-1.
It is described as a white solid or a light yellow, hygroscopic solidified mass or fragments with a melting point of 25-29°C.
The topological polar surface area is 28.8Ų.
Reference: [1] Journal of Organic Chemistry, 1986, vol. 51, # 22, p. 4298 - 4300
[2] Journal of Chemical Research, Miniprint, 1995, # 8, p. 1853 - 1864
[3] Chemical and Pharmaceutical Bulletin, 1981, vol. 29, # 1, p. 25 - 28
[4] Synthetic Communications, 1986, vol. 16, p. 1377 - 1386
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1995, # 4, p. 491 - 500
Reference: [1] Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1995, # 2, p. 295 - 298
Reference: [1]Journal of the American Chemical Society,1990,vol. 112,p. 8279 - 8284
Reference: [1]Journal of Organic Chemistry,1987,vol. 52,p. 3909 - 3917
Reference: [1]Journal of Organic Chemistry,1987,vol. 52,p. 3909 - 3917
* For details of the synthesis route, please refer to the original source to ensure accuracy.