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| CAS No.: | 221243-82-9 |
|---|---|
| Name: | 4-AMINO-1-TERT-BUTYL-3-(1'-NAPHTHYL)PYRAZOLO[3,4-D]PYRIMIDINE |
| Molecular Structure: | |
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| Formula: | C19H19N5 |
| Molecular Weight: | 317.393 |
| Synonyms: | 1-NA-PP 1;1-tert-Butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine;1-(1,1-Dimethylethyl)-3-(1-naphthalenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine;4-Amino-1-tert-butyl-3-(1'-naphthyl)pyrazolo[3,4-d]pyrimidine; |
| Density: | 1.27 g/cm3 |
| Melting Point: | 219-222 °C |
| Boiling Point: | 527.8 °C at 760 mmHg |
| Flash Point: | 273 °C |
| Appearance: | White cyrstalline solid |
| PSA: | 69.62000 |
| LogP: | 4.56490 |
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Specification
The 1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-(1,1-dimethylethyl)-3-(1-naphthalenyl)-, with the CAS registry number 221243-82-9, is also known as 4-Amino-1-tert-butyl-3-(1'-naphthyl)pyrazolo[3,4-d]pyrimidine. This chemical's molecular formula is C19H19N5 and molecular weight is 317.39. What's more, its systematic name is 1-tert-Butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine and it belongs to the product categories of Bases & Related Reagents; Intermediates & Fine Chemicals; Nucleotides; Pharmaceuticals; Tyrosine Kinase Inhibitors; Intracellular Signaling. Besides, its storage temperature is 4 °C.
Physical properties of 1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-(1,1-dimethylethyl)-3-(1-naphthalenyl)- are: (1)ACD/LogP: 3.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/LogD (pH 7.4): 3.73; (5)ACD/BCF (pH 5.5): 381.64; (6)ACD/BCF (pH 7.4): 403.48; (7)ACD/KOC (pH 5.5): 2413.24; (8)ACD/KOC (pH 7.4): 2551.28; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.84 Å2; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 94.92 cm3; (15)Molar Volume: 248.8 cm3; (16)Polarizability: 37.63×10-24 cm3; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 273 °C; (20)Enthalpy of Vaporization: 80.25 kJ/mol; (21)Boiling Point: 527.8 °C at 760 mmHg; (22)Vapour Pressure: 3.14E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c(c2c(nc1)n(nc2c4c3ccccc3ccc4)C(C)(C)C)N
(2)InChI: InChI=1/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)
(3)InChIKey: XSHQBIXMLULFEV-UHFFFAOYSA-N