AG00345Y

3317-61-1 | 5,5-Dimethyl-1-pyrroline N-oxide

AG00345Y

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CAS Number	3317-61-1
Catalog Number	AG00345Y(AGN-PC-008CZ2)
Chemical Name	5,5-Dimethyl-1-pyrroline N-oxide
EC Number	222-011-1
IUPAC Name	2,2-dimethyl-1-oxido-3,4-dihydropyrrol-1-ium
InChI	InChI=1S/C6H11NO/c1-6(2)4-3-5-7(6)8/h5H,3-4H2,1-2H3
InChI Key	VCUVETGKTILCLC-UHFFFAOYSA-N
MDL Number	MFCD00005279
Molecular Formula	C6H11NO
Molecular Weight	113.1576
SMILES	O=N1=CCCC1(C)C
UNII	7170JZ1QF3
Synonyms	5,5-dimethyl-1-pyrroline-1-oxide, 5,5-dimethyl-1-pyrroline-N-oxide, 5,5-DMPO, DMPO-5,5, 5,5-Dimethyl-1-pyrroline N-oxide, 3317-61-1, DMPO, 5,5-Dimethyl-1-pyrroline-N-oxide, 2,2-Dimethyl-3,4-dihydro-2H-pyrrole 1-oxide, 2,2-dimethyl-1-oxido-3,4-dihydropyrrol-1-ium, MFCD00005279, 2H-Pyrrole, 3,4-dihydro-2,2-dimethyl-, 1-oxide, 5,5-Dimethyl-1-pyrroline-1-oxide, UNII-7170JZ1QF3, ACMC-209hyz, Lopac-D-5766, AC1L1C7I, 3,4-Dihydro-2,2-dimethyl-2H-pyrrole 1-oxide, Lopac0_000350, 5,5-Dimethylpyrroline-Noxide, KSC224E9L, MLS002153283, CHEMBL79824, SCHEMBL130517, CTK1C4295, DTXSID30186826, VCUVETGKTILCLC-UHFFFAOYSA-N, 7170JZ1QF3, HMS3261E21, AC1Q2273, ZINC2563972, ZX-AT015862, Tox21_500350, 5,5-Dimethyl-1 -pyrroline N-oxide, ANW-27561, BBL102694, FCH918327, STL556499, 5,5-Dimethyl-1-Pyrrolidine-N-oxide, AKOS005257654, ACM3317611, CCG-204445, LP00350, RTR-032380, NCGC00015351-01, NCGC00015351-02, NCGC00015351-03, NCGC00015351-04, NCGC00093786-01, NCGC00093786-02, NCGC00261035-01, AK-41638, AS-15638, BR-41638, CC-20872, CJ-09657, Q108, SC-26624, SMR000326756, 5,5-Dimethyl-1-pyrroline N-oxide, 97%, AB0017403, AM20090502, B7401, D2362, EU-0100350, FT-0653618, 5,5-Dimethyl-1-pyrroline N-oxide, >=97%, 3,4-Dihydro-2,2-dimethyl-2H-pyrrole N-oxide, D 5766, S-2810, 2,2-dimethyl-3,4-dihydropyrrol-1-ium-1-olate, C-34413, SR-01000075491, J-019063, S11-0032, SR-01000075491-1, 2,2-dimethyl-3,4-dihydro-2H-pyrrol-1-ium-1-olate, 5,5-Dimethyl-1-pyrroline N-oxide, for ESR-spectroscopy, 5,5-Dimethylpyrroline-N-oxide, C6H11NO, 5,5-DMPO, DMPO-5,5, CID1774, C6-H11-N-O, 5,5-dimethyl-1-pyrroline 1-oxide, EINECS 222-011-1, 5,5-Dimethyl-1-pyrrolidin-1-oxide, AR-1G5991, ACN-025663, 5,5-DIMETHYL-1-PYRROLINEN-OXIDE, C017245, 5,5-Dimethyl-1-pyrroline N-oxide, 97% - 1G 1g, 34148-38-4,

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	113.084g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	113.16g/mol
Monoisotopic Mass	113.084g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	28.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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