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CAS No.: | 106012-58-2 |
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Name: | IMIDAZO[1,2-A]PYRAZINE-3-CARBALDEHYDE |
Molecular Structure: | |
Formula: | C7H5N3O |
Molecular Weight: | 147.136 |
Synonyms: | IMIDAZO[1,2-A]PYRAZINE-3-CARBALDEHYDE;Imidazo[1,2-a]pyrazine-3-carboxaldehyde (9CI) |
Density: | 1.393 g/cm3. |
PSA: | 47.26000 |
LogP: | 0.54180 |
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The CAS registry number of Imidazo[1,2-a]pyrazine-3-carboxaldehyde is 106012-58-2. It belongs to the product category of ALDEHYDE. This chemical's molecular formula is C7H5N3O and molecular weight is 147.1341. What's more, both its IUPAC name and systematic name are the same which is called Imidazo[1,2-a]pyrazine-3-carbaldehyde.
Physical properties about Imidazo[1,2-a]pyrazine-3-carboxaldehyde are: (1)ACD/LogP: -1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 5; (6)ACD/KOC (pH 7.4): 5; (7)#H bond acceptors: 4; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 47.26 Å2; (11)Index of Refraction: 1.696; (12)Molar Refractivity: 40.62 cm3; (13)Molar Volume: 105.588 cm3; (14)Polarizability: 16.103×10-24 cm3; (15)Surface Tension: 60.378 dyne/cm; (16)Density: 1.393 g/cm3.
Preparation of Imidazo[1,2-a]pyrazine-3-carboxaldehyde: this chemical can be prepared by Imidazo[1,2-a]pyrazine and formaldehyde. This reaction needs reagent AcONa and solvent Acetic acid H2O at heating. The reaction time is 48 hours. The yield is 61 %.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cn2c(cnc2cn1)C=O
(2)InChI: InChI=1/C7H5N3O/c11-5-6-3-9-7-4-8-1-2-10(6)7/h1-5H
(3)InChIKey: FTYAMGYSJHEZQA-UHFFFAOYAI