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1H-Pyrazolo[3,4-b]pyridin-3-amine,4,6-dimethyl-

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Name

1H-Pyrazolo[3,4-b]pyridin-3-amine,4,6-dimethyl-

EINECS N/A
CAS No. 41601-44-9 Density 1.317 g/cm3
PSA 67.59000 LogP 1.73810
Solubility N/A Melting Point 273-274 °C
Formula C8H10N4 Boiling Point 393.4 °C at 760 mmHg
Molecular Weight 162.194 Flash Point 220.3 °C
Transport Information N/A Appearance N/A
Safety 22-26-36/37/39 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 41601-44-9 (4,6-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-3-AMINE) Hazard Symbols IrritantXi
Synonyms

1H-Pyrazolo[3,4-b]pyridine,3-amino-4,6-dimethyl- (6CI);4,6-Dimethyl-1H-pyrazolo[3,4-b]pyridin-3-ylamine;NSC 129523;

 

1H-Pyrazolo[3,4-b]pyridin-3-amine,4,6-dimethyl- Specification

The 1H-Pyrazolo[3,4-b]pyridin-3-amine,4,6-dimethyl- is an organic compound with the formula C8H10N4. The IUPAC name of this chemical is 4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-amine. With the CAS registry number 41601-44-9, it is also named as 7H-pyrazolo[3,4-b]pyridin-3-amine, 4,6-dimethyl-.

Physical properties about 1H-Pyrazolo[3,4-b]pyridin-3-amine,4,6-dimethyl- are: (1)ACD/LogP: 0.08; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): 0.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.9; (7)ACD/KOC (pH 7.4): 25.75; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 33.95 Å2; (12)Index of Refraction: 1.719; (13)Molar Refractivity: 48.59 cm3; (14)Molar Volume: 123.1 cm3; (15)Polarizability: 19.26×10-24cm3; (16)Surface Tension: 73.1 dyne/cm; (17)Density: 1.317 g/cm3; (18)Flash Point: 220.3 °C; (19)Enthalpy of Vaporization: 64.33 kJ/mol; (20)Boiling Point: 393.4 °C at 760 mmHg; (21)Vapour Pressure: 2.13E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection and do not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(cc(c2c1nnc2N)C)C
(2)InChI: InChI=1/C8H10N4/c1-4-3-5(2)10-8-6(4)7(9)11-12-8/h3H,1-2H3,(H3,9,10,11,12)
(3)InChIKey: KHMQXWUXUJTGET-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H10N4/c1-4-3-5(2)10-8-6(4)7(9)11-12-8/h3H,1-2H3,(H3,9,10,11,12)
(5)Std. InChIKey: KHMQXWUXUJTGET-UHFFFAOYSA-N

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