CAS No.21801-86-5,2-IMIDAZO[1,2-A]PYRIDIN-3-YLACETAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	21801-86-5
Name:	2-IMIDAZO[1,2-A]PYRIDIN-3-YLACETAMIDE
Article Data:	13

Formula:	C₉H₉N₃O
Molecular Weight:	175.19
Synonyms:	Imidazo(1,2-a)pyridine, 3-(carbamoylmethyl)-;
Density:	1.34 g/cm³
PSA:	60.39000
LogP:	1.06240

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Specification

The CAS registry number of Imidazo[1,2-a]pyridine-3-acetamide is 21801-86-5. In addition, the molecular formula is C₉H₉N₃O and the molecular weight is 175.19. Its systematic name is 2-(imidazo[1,2-a]pyridin-3-yl)acetamide. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about Imidazo[1,2-a]pyridine-3-acetamide are: (1)ACD/LogP: -0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.23; (4)ACD/LogD (pH 7.4): -0.45; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.18; (8)ACD/KOC (pH 7.4): 13.17; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.61 Å²; (13)Index of Refraction: 1.672; (14)Molar Refractivity: 48.69 cm³; (15)Molar Volume: 129.9 cm³; (16)Polarizability: 19.3 ×10^-24cm³; (17)Surface Tension: 58.2 dyne/cm; (18)Density: 1.34 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)Cc1cnc2ccccn12
(2)Std. InChI: InChI=1S/C9H9N3O/c10-8(13)5-7-6-11-9-3-1-2-4-12(7)9/h1-4,6H,5H2,(H2,10,13)
(3)Std. InChIKey: NSJOHWXCJYNOSF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1400mg/kg (1400mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Journal of Medicinal Chemistry. Vol. 12, Pg. 122, 1969.