-
Name
1-HYDROXY-4-[(HYDROXYIMINO)METHYL]-2,2,5,5-TETRAMETHYL-2,5-DIHYDRO-1H-IMIDAZOL-3-IUM-3-OLATE
- EINECS
- CAS No. 49837-80-1
- Article Data4
- CAS DataBase
- Density 1.27 g/cm3
- Solubility
- Melting Point 162-164 °C
- Formula C8H15N3O3
- Boiling Point 381.5 °C at 760 mmHg
- Molecular Weight 201.225
- Flash Point 184.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms 4-[(Hydroxyimino)methyl]-2,2,5,5-tetramethyl-2,5-dihydro-1H-imidazol-1-ol 3-oxide;
- PSA 84.81000
- LogP 0.51390
1H-Imidazole-4-carboxaldehyde,2,5-dihydro-1-hydroxy-2,2,5,5-tetramethyl-, oxime, 3-oxide 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
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