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| CAS No.: | 41443-28-1 |
|---|---|
| Name: | 1h-[1,2,4]Oxadiazolo[4,3-a]quinoxalin-1-one |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C9H5N3O2 |
| Molecular Weight: | 187.158 |
| Synonyms: | 1H-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one;1H-ODQ;ODQ-1H |
| Density: | 1.61 g/cm3 |
| Melting Point: | 160-170 °C |
| Boiling Point: | 321.3 °C at 760 mmHg |
| Flash Point: | 148.1 °C |
| Solubility: | ethanol: 1.2 mg/mL |
| Appearance: | Off-White to Light Yellow Powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 60.40000 |
| LogP: | 0.83570 |
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Specification
The 1H-[1,2,4]Oxadiazolo[4,3-a]quinoxalin-1-one, with the CAS registry number 41443-28-1, has the systematic name of [1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one. It is a kind of off-white to yellow powder, and belongs to the product categories of Cyclic Nucleotide related and Signalling. And the molecular formula of this chemical is C9H5N3O2. What's more, it should be stored at 2-8°C. In addition, it is a potent and selective inhibitor of NO-sensitive guanylyl cyclase.
The physical properties of 1H-[1,2,4]Oxadiazolo[4,3-a]quinoxalin-1-one are as following: (1)ACD/LogP: 0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.27; (4)ACD/LogD (pH 7.4): 0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33.61; (8)ACD/KOC (pH 7.4): 33.61; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.26 Å2; (13)Index of Refraction: 1.781; (14)Molar Refractivity: 48.67 cm3; (15)Molar Volume: 115.9 cm3; (16)Polarizability: 19.29×10-24cm3; (17)Surface Tension: 70.5 dyne/cm; (18)Density: 1.61 g/cm3; (19)Flash Point: 148.1 °C; (20)Enthalpy of Vaporization: 56.3 kJ/mol; (21)Boiling Point: 321.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000301 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1O\N=C2\C=N/c3c(N12)cccc3
(2)InChI: InChI=1/C9H5N3O2/c13-9-12-7-4-2-1-3-6(7)10-5-8(12)11-14-9/h1-5H
(3)InChIKey: LZMHWZHOZLVYDL-UHFFFAOYAR