-
Name
8-METHYL-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER
- EINECS
- CAS No. 67625-40-5
- Article Data4
- CAS DataBase
- Density 1.19 g/cm3
- Solubility
- Melting Point 68-69℃
- Formula C11H12N2O2
- Boiling Point
- Molecular Weight 204.228
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Ethyl 5-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene-8-carboxylate;Ethyl 8-methylimidazo[1,2-a]pyridine-2-carboxylate;8-Methylimidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester;TC-069144;
- PSA 43.60000
- LogP 1.81940
Imidazo[1,2-a]pyridine-2-carboxylicacid, 8-methyl-, ethyl ester Specification
The Imidazo[1,2-a]pyridine-2-carboxylicacid, 8-methyl-, ethyl ester, with the CAS registry number 67625-40-5, is also known as 8-Methylimidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester. This chemical's molecular formula is C11H12N2O2 and formula weight is 204.23. What's more, its IUPAC name is ethyl 8-methylimidazo[1,2-a]pyridine-2-carboxylate.
Physical properties of Imidazo[1,2-a]pyridine-2-carboxylicacid, 8-methyl-, ethyl ester are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 33.4; (6)ACD/BCF (pH 7.4): 34.08; (7)ACD/KOC (pH 5.5): 426.42; (8)ACD/KOC (pH 7.4): 435.04; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.6 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 57.02 cm3; (15)Molar Volume: 170.1 cm3; (16)Surface Tension: 41.9 dyne/cm; (17)Density: 1.19 g/cm3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=CN2C=CC=C(C2=N1)C
(2)InChI: InChI=1S/C11H12N2O2/c1-3-15-11(14)9-7-13-6-4-5-8(2)10(13)12-9/h4-7H,3H2,1-2H3
(3)InChIKey: PUVNOZGJIVZLJH-UHFFFAOYSA-N
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