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CAS No.: | 136117-69-6 |
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Name: | METHYL IMIDAZO[1,2-A]PYRIDINE-6-CARBOXYLATE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C9H8N2O2 |
Molecular Weight: | 176.175 |
Synonyms: | Methylimidazo[1,2-a]pyridine-6-carboxylate; |
Density: | 1.26 g/cm3 |
Melting Point: | 147-148 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 43.60000 |
LogP: | 1.12090 |
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This chemical is called Methyl imidazo[1,2-a]pyridine-6-carboxylate, and it can also be named as Imidazo[1,2-a]pyridine-6-carboxylic acid, methyl ester. With the molecular formula of C9H8N2O2, its molecular weight is 176.17. The CAS registry number of this chemical is 136117-69-6, and its product categories are Pharmacetical; Esters; Fused Ring Systems.
Other characteristics of the Methyl imidazo[1,2-a]pyridine-6-carboxylate can be summarised as followings: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.2; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 4.41; (6)ACD/BCF (pH 7.4): 6.49; (7)ACD/KOC (pH 5.5): 90.12; (8)ACD/KOC (pH 7.4): 132.52; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.6 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 47.98 cm3; (15)Molar Volume: 138.8 cm3; (16)Polarizability: 19.02×10-24cm3; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.26 g/cm3.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. 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=C(OC)c1ccc2nccn2c1
2.InChI: InChI=1/C9H8N2O2/c1-13-9(12)7-2-3-8-10-4-5-11(8)6-7/h2-6H,1H3
3.InChIKey: BTDBMFODXFTFIL-UHFFFAOYAA