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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 | 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 |
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
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-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.