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49834-62-0

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Basic Information
CAS No.: 49834-62-0
Name: 1H-Pyrazolo[3,4-b]pyridin-4-amine
Molecular Structure:
Molecular Structure of 49834-62-0 (1H-Pyrazolo[3,4-b]pyridin-4-amine)
Formula: C6H6N4
Molecular Weight: 134.14
Synonyms: 1H-PYRAZOLO[3,4-B]PYRIDIN-4-AMINE;NSC 221097;4-AMino-1H-pyrazolo[3,4-b]pyridin;4-AMino-1H-pyrazolo[3,4-b]pyridine
Density: 1.48 g/cm3
Boiling Point: 428.6 °C at 760 mmHg
Flash Point: 242.8 °C
PSA: 67.59000
LogP: 1.12130
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Specification

The 1H-Pyrazolo[3,4-b]pyridin-4-amine has CAS registry number 49834-62-0. This chemical's molecular formula is C6H6N4 and molecular weight is 134.14. What's more, its IUPAC name is 1H-pyrazolo[3,4-b]pyridin-4-amine.

Physical properties of 1H-Pyrazolo[3,4-b]pyridin-4-amine are: (1)ACD/LogP: 0; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 9.18; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 33.95 Å2; (11)Index of Refraction: 1.806; (12)Molar Refractivity: 38.94 cm3; (13)Molar Volume: 90.5 cm3; (14)Polarizability: 15.43×10-24cm3; (15)Surface Tension: 97.7 dyne/cm; (16)Density: 1.48 g/cm3; (17)Flash Point: 242.8 °C; (18)Enthalpy of Vaporization: 68.38 kJ/mol; (19)Boiling Point: 428.6 °C at 760 mmHg; (20)Vapour Pressure: 1.5E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccc(c2c1nnc2)N
(2)Std. InChI: InChI=1S/C6H6N4/c7-5-1-2-8-6-4(5)3-9-10-6/h1-3H,(H3,7,8,9,10)
(3)Std. InChIKey: ROGKJJGNQJKPFJ-UHFFFAOYSA-N