Cas no 1065473-78-0 (3-(4-Phenoxyphenyl)-3H-pyrazolo[3,4-d]pyrimidin-4-amine)
![3-(4-Phenoxyphenyl)-3H-pyrazolo[3,4-d]pyrimidin-4-amine structure](https://ossimg.kuujia.com/scimg/1065500/1065473-78-0x500.png)
1065473-78-0 structure
Product Name:3-(4-Phenoxyphenyl)-3H-pyrazolo[3,4-d]pyrimidin-4-amine
CAS No:1065473-78-0
MF:C17H13N5O
MW:303.318022489548
CID:5688309
PubChem ID:118989989
Update Time:2023-09-27
3-(4-Phenoxyphenyl)-3H-pyrazolo[3,4-d]pyrimidin-4-amine Chemical and Physical Properties
Names and Identifiers
-
- 1065473-78-0
- 3-(4-Phenoxyphenyl)-3H-pyrazolo[3,4-d]pyrimidin-4-amine
- 3H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(4-phenoxyphenyl)-
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- Inchi： 1S/C17H13N5O/c18-16-14-15(21-22-17(14)20-10-19-16)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10,15H,(H2,18,19,20)
- InChI Key： XVPPYPRZPHOKIG-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C1C=CC(=CC=1)C1C2=C(N)N=CN=C2N=N1
Computed Properties
- Exact Mass: 303.11201006g/mol
- Monoisotopic Mass: 303.11201006g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 417
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 85.8?2
Experimental Properties
- Density: 1.41±0.1 g/cm3(Predicted)
- Boiling Point: 475.6±45.0 °C(Predicted)
- pka: 3.28±0.40(Predicted)
3-(4-Phenoxyphenyl)-3H-pyrazolo[3,4-d]pyrimidin-4-amine Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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