Cas no 68180-27-8 (9H-Purin-6-amine,9-undecyl-)
9H-Purin-6-amine,9-undecyl- structure
Product Name:9H-Purin-6-amine,9-undecyl-
CAS No:68180-27-8
MF:C16H27N5
MW:289.41908288002
CID:523672
PubChem ID:323599
Update Time:2025-04-19
9H-Purin-6-amine,9-undecyl- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purin-6-amine,9-undecyl-
- 9-undecylpurin-6-amine
- 6-Amino-9-n-undecylpurin
- 9-undecyl-9H-purin-6-ylamine
- AC1L88YU
- NSC285125
- DTXSID00314533
- 68180-27-8
- NSC-285125
-
- Inchi： 1S/C16H27N5/c1-2-3-4-5-6-7-8-9-10-11-21-13-20-14-15(17)18-12-19-16(14)21/h12-13H,2-11H2,1H3,(H2,17,18,19)
- InChI Key： JQSUCZDGOMPLFP-UHFFFAOYSA-N
- SMILES： N1(C=NC2=C(N)N=CN=C12)CCCCCCCCCCC
Computed Properties
- Exact Mass: 289.22691
- Monoisotopic Mass: 289.22664588g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 10
- Complexity: 273
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5
- Topological Polar Surface Area: 69.6?2
Experimental Properties
- PSA: 69.62
- LogP: 4.52050
9H-Purin-6-amine,9-undecyl- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
68180-27-8 (9H-Purin-6-amine,9-undecyl-) Related Products
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