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63725-49-5

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Basic Information
CAS No.: 63725-49-5
Name: 1H-Pyrazolo[3,4-b]pyridin-6-amine
Molecular Structure:
Molecular Structure of 63725-49-5 (1H-Pyrazolo[3,4-b]pyridin-6-amine)
Formula: C6H6N4
Molecular Weight: 134.14
Synonyms: 1H-Pyrazolo[3,4-b]pyridin-6-aMine
Density: 1.5±0.1 g/cm3
Boiling Point: 379.1±22.0 °C at 760 mmHg
Flash Point: 211.1±9.5 °C
PSA: 68.32000
LogP: 0.47020
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Specification

1H-Pyrazolo[3,4-b]pyridin-6-amine is an organic compound with the formula C6H6N4, and its systematic name is the same with the product name. Its CAS registry number is 63725-49-5. In addition, the molecular weight is 134.14.

Physical properties of 1H-Pyrazolo[3,4-b]pyridin-6-amine are: (1)ACD/LogP: 0.10±1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.04; (4)ACD/LogD (pH 7.4): 0.10; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 19.56; (8)ACD/KOC (pH 7.4): 27.00; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 67.59 Å2; (13)Index of Refraction: 1.806; (14)Molar Refractivity: 38.9±0.3 cm3; (15)Molar Volume: 90.6±3.0 cm3; (16)Polarizability: 15.4±0.5×10-24cm3; (17)Surface Tension: 97.7±3.0 dyne/cm; (18)Density: 1.5±0.1 g/cm3; (19)Flash Point: 211.1±9.5 °C; (20)Enthalpy of Vaporization: 62.7±3.0 kJ/mol; (21)Boiling Point: 379.1±22.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(nc2c1cn[nH]2)N
(2)Std. InChI: InChI=1S/C6H6N4/c7-5-2-1-4-3-8-10-6(4)9-5/h1-3H,(H3,7,8,9,10)
(3)Std. InChIKey: XOXOWZFVBMJORH-UHFFFAOYSA-N