CAS No.42951-66-6,1,4,6-Trimethyl-1H-pyrazolo[3,4-b]pyridin-3-ylamine ,97% Suppliers

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Basic Information

Molecular Structure:
CAS No.:	42951-66-6
Name:	1,4,6-Trimethyl-1H-pyrazolo[3,4-b]pyridin-3-ylamine ,97%
Article Data:	3

Formula:	C₉H₁₂N₄
Molecular Weight:	176.221
Synonyms:	3-Amino-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridine;
Density:	1.3 g/cm³
Boiling Point:	352 °C at 760 mmHg
Flash Point:	166.7 °C
Risk Codes:	20/21/22
Safety:	36/37
PSA:	56.73000
LogP:	1.74850

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Specification

The CAS registry number of 1H-Pyrazolo[3,4-b]pyridin-3-amine,1,4,6-trimethyl- is 42951-66-6. This chemical's molecular formula is C₉H₁₂N₄ and molecular weight is 176.2184. Its systematic name is called 1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-amine.

Physical properties of 1H-Pyrazolo[3,4-b]pyridin-3-amine,1,4,6-trimethyl-: (1)ACD/LogP: 0.32; (2)ACD/LogD (pH 7.4): 0.72; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1.79; (5)ACD/KOC (pH 5.5): 1.44; (6)ACD/KOC (pH 7.4): 44.32; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)Index of Refraction: 1.669; (10)Molar Refractivity: 50.34 cm³; (11)Molar Volume: 134.7 cm³; (12)Surface Tension: 45.7 dyne/cm; (13)Density: 1.3 g/cm³; (14)Flash Point: 166.7 °C; (15)Enthalpy of Vaporization: 59.68 kJ/mol; (16)Boiling Point: 352 °C at 760 mmHg; (17)Vapour Pressure: 3.95E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-chloro-4,6-dimethyl-nicotinonitrile and methylhydrazine by heating. This reaction will need solvent ethanol. The reaction time is 10 hours. The yield is about 70%.

1H-Pyrazolo[3,4-b]pyridin-3-amine,1,4,6-trimethyl- can be prepared by 2-chloro-4,6-dimethyl-nicotinonitrile and methylhydrazine

Uses of 1H-Pyrazolo[3,4-b]pyridin-3-amine,1,4,6-trimethyl-: it can be used to produce 3-bromo-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridine by heating. This reaction will need reagents bromoform and butyl nitrite with reaction time of 3 hours. The yield is about 68%.

1H-Pyrazolo[3,4-b]pyridin-3-amine,1,4,6-trimethyl- can be used to produce 3-bromo-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridine

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(cc(c2c1n(nc2N)C)C)C
(2)InChI: InChI=1/C9H12N4/c1-5-4-6(2)11-9-7(5)8(10)12-13(9)3/h4H,1-3H3,(H2,10,12)
(3)InChIKey: DRFIBVYIMICNDP-UHFFFAOYAL