CAS No.41601-44-9,4,6-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-3-AMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	41601-44-9
Name:	4,6-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-3-AMINE

Formula:	C₈H₁₀N₄
Molecular Weight:	162.194
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;
Density:	1.317 g/cm³
Melting Point:	273-274 °C
Boiling Point:	393.4 °C at 760 mmHg
Flash Point:	220.3 °C
Hazard Symbols:	Xi
Risk Codes:	22-36/37/38
Safety:	22-26-36/37/39
PSA:	67.59000
LogP:	1.73810

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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