Cas no 100217-09-2 (9H-Purin-2-amine,6-(2-chloroethoxy)-)
100217-09-2 structure
Product Name:9H-Purin-2-amine,6-(2-chloroethoxy)-
CAS No:100217-09-2
MF:C7H8ClN5O
MW:213.624319076538
CID:195307
PubChem ID:127499
Update Time:2025-04-19
9H-Purin-2-amine,6-(2-chloroethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purin-2-amine,6-(2-chloroethoxy)-
- 6-(2-chloroethoxy)-7H-purin-2-amine
- O(6)-(2-chloroethyl)guanine
- 1H-Purine-2-amine, 6-(2-chloroethoxy)-
- O(6)-2-Ceg
- DTXSID60143023
- 100217-09-2
-
- Inchi： 1S/C7H8ClN5O/c8-1-2-14-6-4-5(11-3-10-4)12-7(9)13-6/h3H,1-2H2,(H3,9,10,11,12,13)
- InChI Key： VGKZFRLEZKOTCQ-UHFFFAOYSA-N
- SMILES： ClCCOC1=C2C(=NC(N)=N1)N=CN2
Computed Properties
- Exact Mass: 212.03411
- Monoisotopic Mass: 213.041738
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 195
- 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: 0.3
- Topological Polar Surface Area: 89.7
Experimental Properties
- Density: 1.574
- Boiling Point: 617.2°Cat760mmHg
- Flash Point: 327.1°C
- Refractive Index: 1.712
- PSA: 89.71
- LogP: 0.48280
9H-Purin-2-amine,6-(2-chloroethoxy)- Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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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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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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