1H-Pyrazolo[3,4-d]pyrimidine-4,6(2H,5H)-dione supplier

Name
1H-Pyrazolo[3,4-d]pyrimidine-4,6(2H,5H)-dione
EINECS
CAS No. 184764-63-4
Density 2.19 g/cm³
Solubility
Melting Point >300℃
Formula C₅H₄N₄O₂
Boiling Point 662.9 °C at 760 mmHg
Molecular Weight 152.112
Flash Point 354.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Pyrazolo[3,4-d]pyrimidin-4,6-diol;
PSA 94.66000
LogP -0.64820

1H-Pyrazolo[3,4-d]pyrimidine-4,6(2H,5H)-dione Specification

The 1H-Pyrazolo[3,4-d]pyrimidine-4,6(2H,5H)-dione, with the CAS registry number 184764-63-4, is also known as 1H-Pyrazolo[3,4-d]pyrimidin-4,6-diol. This chemical's molecular formula is C₅H₄N₄O₂ and molecular weight is 152.1109. What's more, its systematic name is also called 1H-Pyrazolo[3,4-d]pyrimidine-4,6(2H,5H)-dione.

Physical properties about 1H-Pyrazolo[3,4-d]pyrimidine-4,6(2H,5H)-dione are: (1)ACD/LogP: -1.20; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.21; (4)ACD/LogD (pH 7.4): -1.55; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.2; (8)ACD/KOC (pH 7.4): 2.39; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 56.22 Å²; (13)Index of Refraction: 1.989; (14)Molar Refractivity: 34.4 cm³; (15)Molar Volume: 69.3 cm³; (16)Polarizability: 13.63×10^-24cm³; (17)Surface Tension: 117.4 dyne/cm; (18)Density: 2.19 g/cm³; (19)Flash Point: 354.7 °C; (20)Enthalpy of Vaporization: 101.04 kJ/mol; (21)Boiling Point: 662.9 °C at 760 mmHg; (22)Vapour Pressure: 3.5E-18 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/N=C2\C(C(=O)N1)=C/NN2
(2) InChI: InChI=1/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
(3) InChIKey: HXNFUBHNUDHIGC-UHFFFAOYAQ

Product Name

1H-Pyrazolo[3,4-d]pyrimidine-4,6(2H,5H)-dione

1H-Pyrazolo[3,4-d]pyrimidine-4,6(2H,5H)-dione Specification

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