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49837-80-1

Basic Information
CAS No.: 49837-80-1
Name: 1-HYDROXY-4-[(HYDROXYIMINO)METHYL]-2,2,5,5-TETRAMETHYL-2,5-DIHYDRO-1H-IMIDAZOL-3-IUM-3-OLATE
Article Data: 4
Molecular Structure:
Molecular Structure of 49837-80-1 (1-HYDROXY-4-[(HYDROXYIMINO)METHYL]-2,2,5,5-TETRAMETHYL-2,5-DIHYDRO-1H-IMIDAZOL-3-IUM-3-OLATE)
Formula: C8H15N3O3
Molecular Weight: 201.225
Synonyms: 4-[(Hydroxyimino)methyl]-2,2,5,5-tetramethyl-2,5-dihydro-1H-imidazol-1-ol 3-oxide;
Density: 1.27 g/cm3
Melting Point: 162-164 °C
Boiling Point: 381.5 °C at 760 mmHg
Flash Point: 184.5 °C
Hazard Symbols: IrritantXi
PSA: 84.81000
LogP: 0.51390
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  • 1H-Imidazole-4-carboxaldehyde,2,5-dihydro-1-hydroxy-2,2,5,5-tetramethyl-, oxime, 3-oxide

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    49837-80-1

    1H-Imidazole-4-carboxaldehyde,2,5-dihydro-1-hydroxy-2,2,5,5-tetramethyl-, oxime, 3-oxide

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  • 1-Hydroxy-2,2,5,5-tetramethyl-4-[(hydroxyimino)methyl]imidazole-3-oxide

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    49837-80-1

    1-Hydroxy-2,2,5,5-tetramethyl-4-[(hydroxyimino)methyl]imidazole-3-oxide

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  • 1-HYDROXY-2,2,5,5-TETRAMETHYL-4-HYDROXYIMINOMETHYL-3-IMIDAZOLE OXIDE

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    49837-80-1

    1-HYDROXY-2,2,5,5-TETRAMETHYL-4-HYDROXYIMINOMETHYL-3-IMIDAZOLE OXIDE

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Specification

The 1H-Imidazole-4-carboxaldehyde,2,5-dihydro-1-hydroxy-2,2,5,5-tetramethyl-, oxime, 3-oxide, with the CAS registry number 49837-80-1, is also known as 4-[(Hydroxyimino)methyl]-2,2,5,5-tetramethyl-2,5-dihydro-1H-imidazol-1-ol 3-oxide. This chemical's molecular formula is C8H15N3O3 and molecular weight is 201.223. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 1H-Imidazole-4-carboxaldehyde,2,5-dihydro-1-hydroxy-2,2,5,5-tetramethyl-, oxime, 3-oxide are: (1)#of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 11.94; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 84.81 Å2; (10)Index of Refraction: 1.553; (11)Molar Refractivity: 50.7 cm3; (12)Molar Volume: 158.2 cm3; (13)Polarizability: 20.1×10-24 cm3; (14)Surface Tension: 46.4 dyne/cm; (15)Density: 1.27 g/cm3; (16)Flash Point: 184.5 °C; (17)Enthalpy of Vaporization: 72.84 kJ/mol; (18)Boiling Point: 381.5 °C at 760 mmHg; (19)Vapour Pressure: 2.18E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-]/[N+]1=C(\C=N/O)C(C)(C)N(O)C1(C)C
(2) InChI: InChI=1/C8H15N3O3/c1-7(2)6(5-9-12)10(13)8(3,4)11(7)14/h5,12,14H,1-4H3/b9-5-
(3) InChIKey: FQOGJIQWQOEKLY-UITAMQMPBB