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Ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate

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Name

Ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate

EINECS 201-215-5
CAS No. 158980-21-3 Density 1.35 g/cm3
PSA 69.62000 LogP 1.67440
Solubility N/A Melting Point N/A
Formula C10H11N3O2 Boiling Point N/A
Molecular Weight 205.216 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 36/37 Risk Codes 43
Molecular Structure Molecular Structure of 158980-21-3 (Ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate) Hazard Symbols Xi
Synonyms

Imidazo[1,2-a]pyridine-2-carboxylic acid, 6-amino-, ethyl ester;ZINC02563818;

Article Data 9

Ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate 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

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