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158980-21-3

Basic Information
CAS No.: 158980-21-3
Name: Ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate
Article Data: 9
Molecular Structure:
Molecular Structure of 158980-21-3 (Ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate)
Formula: C10H11N3O2
Molecular Weight: 205.216
Synonyms: Imidazo[1,2-a]pyridine-2-carboxylic acid, 6-amino-, ethyl ester;ZINC02563818;
EINECS: 201-215-5
Density: 1.35 g/cm3
Hazard Symbols: Xi
Risk Codes: 43
Safety: 36/37
PSA: 69.62000
LogP: 1.67440
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Specification

The Ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate with CAS registry number of 158980-21-3 is also known as Imidazo[1,2-a]pyridine-2-carboxylic acid, 6-amino-, ethyl ester. The IUPAC name and product name are the same. It belongs to product categories of Aminoacid. In addition, the formula is C10H11N3O2 and the molecular weight is 205.21.

Physical properties about Ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate are: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/LogD (pH 7.4): 1.03; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 69.62Å2; (9)Index of Refraction: 1.637; (10)Molar Refractivity: 54.51 cm3; (11)Molar Volume: 151.7 cm3; (12)Polarizability: 21.6×10-24cm3; (13)Surface Tension: 52.8 dyne/cm; (14)Density: 1.35 g/cm3.

You can still convert the following datas into molecular structure:
1. SMILES: CCOC(=O)c1cn2cc(ccc2n1)N
2. InChI: InChI=1/C10H11N3O2/c1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8/h3-6H,2,11H2,1H3
3. InChIKey: PKWHXLCNUIXDIK-UHFFFAOYAM
4. Std. InChI: InChI=1S/C10H11N3O2/c1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8/h3-6H,2,11H2,1H3
5. Std. InChIKey: PKWHXLCNUIXDIK-UHFFFAOYSA-N