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5,5-Dimethyl-1-pyrroline N-oxide

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Name

5,5-Dimethyl-1-pyrroline N-oxide

EINECS 222-011-1
CAS No. 3317-61-1 Density 0.96 g/cm3
PSA 28.75000 LogP 1.09870
Solubility N/A Melting Point 25-29 °C(lit.)
Formula C6H11NO Boiling Point 274.2 °C at 760 mmHg
Molecular Weight 113.159 Flash Point 130.7 °C
Transport Information N/A Appearance white to faintly yellow solid
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 3317-61-1 (5,5-DIMETHYL-1-PYRROLINE N-OXIDE) Hazard Symbols N/A
Synonyms

1-Pyrroline,5,5-dimethyl-, 1-oxide (6CI,7CI,8CI);2,2-Dimethyl-3,4-dihydro-2H-pyrroleN-oxide;5,5-Dimethyl-4,5-dihydro-3H-pyrrole N-oxide;5,5-Dimethyl-D1-pyrroline 1-oxide;DMPO;

Article Data 15

5,5-Dimethyl-1-pyrroline N-oxide Chemical Properties

Molecule structure of 5,5-Dimethyl-1-pyrroline-1-oxide (CAS NO.3317-61-1):

IUPAC Name: 2,2-Dimethyl-1-oxido-3,4-dihydropyrrol-1-ium 
Molecular Weight: 113.15764 g/mol
Molecular Formula: C6H11NO 
Density: 1.015 g/mL at 25 °C(lit.)
Melting Point: 25-29 °C(lit.)
Boiling Point: 75 °C at 0.4 mm Hg(lit.)
Flash Point: 204 °F
Index of Refraction: 1.478
Molar Refractivity: 33.38 cm3
Molar Volume: 117.8 cm3
Surface Tension: 29.4 dyne/cm 
Enthalpy of Vaporization: 49.2 kJ/mol
Vapour Pressure: 0.00918 mmHg at 25 °C 
Storage Temp.: −20 °C
XLogP3-AA: -0.3
H-Bond Acceptor: 1
Exact Mass: 113.084064
MonoIsotopic Mass: 113.084064
Topological Polar Surface Area: 26.1
Heavy Atom Count: 8
Canonical SMILES: CC1(CCC=[N+]1[O-])C
InChI: InChI=1S/C6H11NO/c1-6(2)4-3-5-7(6)8/h5H,3-4H2,1-2H3
InChIKey: VCUVETGKTILCLC-UHFFFAOYSA-N
EINECS: 222-011-1
Product Categories: pharmacetical;Analytical Chemistry; ESR Spectrometry; Spin Trapping Reagents

5,5-Dimethyl-1-pyrroline N-oxide Safety Profile

Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
F: 8-10
HazardClass: IRRITANT

5,5-Dimethyl-1-pyrroline N-oxide Specification

 5,5-Dimethyl-1-pyrroline-1-oxide (CAS NO.3317-61-1) is also named as DMPO ; 5,5-Dimethyl-1-pyrroline N-oxide ; 5,5-Dimethylpyrroline-N-oxide ; 2H-Pyrrole, 3,4-dihydro-2,2-dimethyl-, 1-oxide ; 3,4-Dihydro-2,2-dimethyl-2H-pyrrole 1-oxide . 5,5-Dimethyl-1-pyrroline-1-oxide (CAS NO.3317-61-1) is white to faintly yellow solid. It is stable, but light sensitive, hygroscopic and heat sensitive. It stores in the dark, under an inert gas, and keep cold. It is incompatible with strong oxidizing agents, moisture.

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