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1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-phenyl-

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Name

1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-phenyl-

EINECS N/A
CAS No. 5334-30-5 Density 1.44 g/cm3
PSA 69.62000 LogP 1.97890
Solubility N/A Melting Point 214-217 °C
Formula C11H9N5 Boiling Point 364 °C at 760 mmHg
Molecular Weight 211.226 Flash Point 173.9 °C
Transport Information N/A Appearance Whit to Off-White Solid
Safety 36/37/39-26 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 5334-30-5 (1-Phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

5334-30-5;1-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine;4-Amino-1-phenylpyrazolo[3,4-d]pyrimidine;PP 3;pp3;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine;SBB028425;CHEMBL65063;1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine;4-Amino-1-phenylpyrazolo(3,4-e)pyrimidine;4-AMINO-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE;1H-Pyrazolo[3,4-d]pyrimidine, 4-amino-1-phenyl-;NSC 1401;NSC1401;D04XNJ;cid_4879;Oprea1_329529;Oprea1_457349;MLS000054252;GTPL6029;SCHEMBL2278510;CHEBI:92303;DTXSID20274448;HMS2502N08;HMS3229K03;NSC-1401;BDBM50013720;HB1336;HSCI1_000188;MFCD00022901;STL356148;AKOS000536351;CCG-206781;ES-0020;NCGC00037167-02;SMR000065878;HY-108484;CS-0028960;FT-0617437;T71017;1-Phenyl-1H-pyrazolo[3,4-d]pyrimidine-4-amine;EN300-1644893;1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine #;BRD-K16977723-001-01-0;Q27088431;Z56801548;1345-16-0

Article Data 8

1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-phenyl- Specification

The 1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-phenyl-, with the CAS registry number 5334-30-5, is also known as 4-Amino-1-phenylpyrazolo[3,4-d]pyrimidine. It belongs to the product categories of Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides; Intracellular Signaling. This chemical's molecular formula is C11H9N5 and molecular weight is 211.2227. What's more, its IUPAC name is called 1-Phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Physical properties about this chemical are: (1)ACD/LogP: 1.59; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): 1.58; (5)ACD/BCF (pH 5.5): 9.34; (6)ACD/BCF (pH 7.4): 9.43; (7)ACD/KOC (pH 5.5): 171.77; (8)ACD/KOC (pH 7.4): 173.42; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.84 Å2; (13)Index of Refraction: 1.77; (14)Molar Refractivity: 60.62 cm3; (15)Molar Volume: 145.8 cm3; (16)Surface Tension: 65.6 dyne/cm; (17)Density: 1.44 g/cm3; (18)Flash Point: 173.9 °C; (19)Enthalpy of Vaporization: 61.01 kJ/mol; (20)Boiling Point: 364 °C at 760 mmHg; (21)Vapour Pressure: 1.74E-05 mmHg at 25 °C; (22)Melting Point: 214-217 °C.

Uses of 1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-phenyl-: it is used to produce other chemicals. For example, it is used to produce 1,4-Diphenyl-1H-pyrazolo[3,4-d]pyrimidine and 1-Phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one.

     

The reaction occurs with reagents p-TsOH, Amyl nitrite and other condition of heating for 3 days. The yield is 21%.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. And it may cause damage to health. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c(c2c(nc1)n(nc2)c3ccccc3)N
(2) InChI: InChI=1/C11H9N5/c12-10-9-6-15-16(11(9)14-7-13-10)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14)
(3) InChIKey: KKDPIZPUTYIBFX-UHFFFAOYAZ

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