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

Name
1-Phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
EINECS
CAS No. 5334-30-5
Article Data8
CAS DataBase
Density 1.44 g/cm³
Solubility
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
Appearance Whit to Off-White Solid
Safety 36/37/39-26
Risk Codes 36/37/38-22
Molecular Structure
Hazard Symbols Xn,Xi
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
PSA 69.62000
LogP 1.97890

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

Product Name

1-Phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine

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

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