CAS No.5334-30-5,1-Phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5334-30-5
Name:	1-Phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
Article Data:	8

Formula:	C₁₁H₉N₅
Molecular Weight:	211.226
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
Density:	1.44 g/cm³
Melting Point:	214-217 °C
Boiling Point:	364 °C at 760 mmHg
Flash Point:	173.9 °C
Appearance:	Whit to Off-White Solid
Hazard Symbols:	Xn,Xi
Risk Codes:	36/37/38-22
Safety:	36/37/39-26
PSA:	69.62000
LogP:	1.97890

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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