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40926-66-7

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Basic Information
CAS No.: 40926-66-7
Name: Oxazolo[4,5-b]pyridin-2-amine
Article Data: 4
Molecular Structure:
Molecular Structure of 40926-66-7 (Oxazolo[4,5-b]pyridin-2-amine)
Formula: C6H5N3O
Molecular Weight: 135.125
Synonyms: [1,3]Oxazolo[4,5-b]pyridin-2-amine;
Density: 1.421 g/cm3
Melting Point: 233-234℃
Boiling Point: 300.7 °C at 760 mmHg
Flash Point: 135.6 °C
PSA: 65.67000
LogP: 0.73510
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Specification

The Oxazolo[4,5-b]pyridin-2-amine has the CAS registry number 40926-66-7. This chemical's molecular formula is C6H5N3O and molecular weight is 135.12. What's more, its systematic name is [1,3]oxazolo[4,5-b]pyridin-2-amine. 

Physical properties of Oxazolo[4,5-b]pyridin-2-amine are: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): 0.5; (5)ACD/BCF (pH 5.5): 1.41; (6)ACD/BCF (pH 7.4): 1.41; (7)ACD/KOC (pH 5.5): 44.51; (8)ACD/KOC (pH 7.4): 44.51; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 64.94 Å2; (13)Index of Refraction: 1.701; (14)Molar Refractivity: 36.81 cm3; (15)Molar Volume: 95 cm3; (16)Polarizability: 14.59×10-24cm3; (17)Surface Tension: 74.3 dyne/cm; (18)Density: 1.421 g/cm3; (19)Flash Point: 135.6 °C; (20)Enthalpy of Vaporization: 54.07 kJ/mol; (21)Boiling Point: 300.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00111 mmHg at 25°C.

Uses of Oxazolo[4,5-b]pyridin-2-amine: it can be used to produce 2-Di-(2-cyanoethyl)-aminooxazolo[4,5-b]pyridin by heating. It will need solvent acetonitrile with the reaction time of 30 hours. This reaction will also need catalyst Triton B. The yield is about 86%.

Oxazolo[4,5-b]pyridin-2-amine can be used to produce 2-Di-(2-cyanoethyl)-aminooxazolo[4,5-b]pyridin by heating

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1nc2ncccc2o1
(2)InChI: InChI=1S/C6H5N3O/c7-6-9-5-4(10-6)2-1-3-8-5/h1-3H,(H2,7,8,9)
(3)InChIKey: AVSYPWBWFBPSEU-UHFFFAOYSA-N