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