Cas no 25750-77-0 (prop-2-enamide - 9-ethenyl-9H-purin-6-amine (1:1))
25750-77-0 structure
Product Name:prop-2-enamide - 9-ethenyl-9H-purin-6-amine (1:1)
CAS No:25750-77-0
MF:C10H12N6O
MW:232.24188041687
CID:914044
PubChem ID:431007
Update Time:2025-04-19
prop-2-enamide - 9-ethenyl-9H-purin-6-amine (1:1) Chemical and Physical Properties
Names and Identifiers
-
- prop-2-enamide - 9-ethenyl-9H-purin-6-amine (1:1)
- 9-ethenylpurin-6-amine,prop-2-enamide
- NSC-287433
- 25750-77-0
- NSC287433
- 9-ethenylpurin-6-amine; prop-2-enamide
- DTXSID20330634
-
- Inchi： 1S/C7H7N5.C3H5NO/c1-2-12-4-11-5-6(8)9-3-10-7(5)12;1-2-3(4)5/h2-4H,1H2,(H2,8,9,10);2H,1H2,(H2,4,5)
- InChI Key： FGYGFAQHHHHSGE-UHFFFAOYSA-N
- SMILES： O=C(C=C)N.N1(C=C)C=NC2=C(N)N=CN=C12
Computed Properties
- Exact Mass: 232.10746
- Monoisotopic Mass: 232.10725903g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 241
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 113?2
Experimental Properties
- PSA: 112.71
prop-2-enamide - 9-ethenyl-9H-purin-6-amine (1:1) Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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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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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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