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Imidazo[1,2-a]pyrimidine

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Name

Imidazo[1,2-a]pyrimidine

EINECS N/A
CAS No. 274-95-3 Density 1.294 g/cm3
PSA 30.19000 LogP 0.72930
Solubility N/A Melting Point 127-129 °C
Formula C6H5N3 Boiling Point N/A
Molecular Weight 119.126 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 36/37 Risk Codes 43
Molecular Structure Molecular Structure of 274-95-3 (Imidazo[1,2-a]pyrimidine) Hazard Symbols IrritantXi
Synonyms

1,3a,7-Triazaindene;1,8-Diazaindolizine;3,4-Diazaindolizine;8-Azapyrimidazole;

Article Data 14

Imidazo[1,2-a]pyrimidine 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

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