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| CAS No.: | 274-95-3 |
|---|---|
| Name: | Imidazo[1,2-a]pyrimidine |
| Molecular Structure: | |
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| Formula: | C6H5N3 |
| Molecular Weight: | 119.126 |
| Synonyms: | 1,3a,7-Triazaindene;1,8-Diazaindolizine;3,4-Diazaindolizine;8-Azapyrimidazole; |
| Density: | 1.294 g/cm3 |
| Melting Point: | 127-129 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 43 |
| Safety: | 36/37 |
| PSA: | 30.19000 |
| LogP: | 0.72930 |
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Specification
The Imidazo[1,2-a]pyrimidine, with the CAS registry number 274-95-3, is also known as 1,8-Diazaindolizine. It belongs to the product categories of Fluorobenzene; Pyrimidines and Fused Ring Systems. This chemical's molecular formula is C6H5N3 and molecular weight is 119.124. What's more, its systematic name is called Imidazo[1,2-a]pyrimidine.
Physical properties about Imidazo[1,2-a]pyrimidine are: (1) ACD/LogP: 0.41; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.11; (4) ACD/LogD (pH 7.4): 0.4; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1.19; (7) ACD/KOC (pH 5.5): 19.91; (8) ACD/KOC (pH 7.4): 39.21; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 30.19 Å2; (13) Index of Refraction: 1.689; (14) Molar Refractivity: 35.15 cm3; (15) Molar Volume: 92 cm3; (16) Surface Tension: 54.4 dyne/cm; (17) Density: 1.29 g/cm3; (18) Melting Point: 127-129 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritant and may cause inflammation to the skin or other mucous membranes.
You can still convert the following datas into molecular structure:
(1) SMILES: n1cccn2ccnc12
(2) InChI: InChI=1/C6H5N3/c1-2-7-6-8-3-5-9(6)4-1/h1-5H
(3) InChIKey: INSWZAQOISIYDT-UHFFFAOYAR