Cas no 7498-14-8 (6H-Purin-6-one,9-hexyl-1,9-dihydro-)
7498-14-8 structure
Product Name:6H-Purin-6-one,9-hexyl-1,9-dihydro-
CAS No:7498-14-8
MF:C11H16N4O
MW:220.270941734314
CID:575989
PubChem ID:135441764
Update Time:2025-04-19
6H-Purin-6-one,9-hexyl-1,9-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purin-6-one,9-hexyl-1,9-dihydro-
- 9-hexyl-3H-purin-6-one
- 9-hexyl-1,9-dihydro-purin-6-one
- 9-Hexyl-6-hydroxy-9H-purin
- AC1L88ZJ
- NSC407342
- SCHEMBL22017431
- NSC-407342
- DTXSID90324641
- 7498-14-8
-
- Inchi： 1S/C11H16N4O/c1-2-3-4-5-6-15-8-14-9-10(15)12-7-13-11(9)16/h7-8H,2-6H2,1H3,(H,12,13,16)
- InChI Key： QNGGZNGZWYIWJO-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N=CN1)N(C=N2)CCCCCC
Computed Properties
- Exact Mass: 220.13258
- Monoisotopic Mass: 220.132
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 279
- 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: 1.7
- Topological Polar Surface Area: 59.3?2
Experimental Properties
- Density: 1.26
- Boiling Point: 440.5°C at 760 mmHg
- Flash Point: 220.2°C
- Refractive Index: 1.63
- PSA: 59.28
- LogP: 1.69990
6H-Purin-6-one,9-hexyl-1,9-dihydro- Related Literature
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1. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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