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CAS No.: | 66358-23-4 |
---|---|
Name: | Imidazo[1,2-a]pyridin-5-ylamine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H7N3 |
Molecular Weight: | 133.153 |
Synonyms: | NSC 305200;Imidazo[1,2-a]pyridin-5-ylamine; |
Density: | 1.32 g/cm3 |
Melting Point: | 156-158 °C |
PSA: | 43.32000 |
LogP: | 1.49770 |
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The IUPAC name of Imidazo[1,2-alpha]pyridin-5-amine is imidazo[1,2-a]pyridin-5-amine. With the CAS registry number 66358-23-4, it is also named as Imidazo[1,2-a]pyridin-5-ylamine. In addition, its molecular formula is C7H7N3 and its molecular weight is 133.15.
The other characteristics of Imidazo[1,2-alpha]pyridin-5-amine can be summarized as: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)XLogP3-AA: 1.4; (7)Rotatable Bond Count: 0; (8)Tautomer Count: 2; (9)Exact Mass: 133.063997; (10)MonoIsotopic Mass: 133.063997; (11)Topological Polar Surface Area: 43.3; (12)Heavy Atom Count: 10; (13)Complexity: 126; (14)Polar Surface Area: 20.54 Å2; (15)Index of Refraction: 1.696; (16)Molar Refractivity: 38.62 cm3; (17)Molar Volume: 100.2 cm3; (18)Polarizability: 15.31×10-24cm3; (19)Surface Tension: 57.4 dyne/cm; (20)Density: 1.32 g/cm3; (21)Melting point: 150 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: n1ccn2c(cccc12)N
(2)InChI: InChI=1/C7H7N3/c8-6-2-1-3-7-9-4-5-10(6)7/h1-5H,8H2
(3)InChIKey: XSNBOUDHWWROII-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H7N3/c8-6-2-1-3-7-9-4-5-10(6)7/h1-5H,8H2
(5)Std. InChIKey: XSNBOUDHWWROII-UHFFFAOYSA-N