Cas no 93905-75-0 (guanine, 9-butyl-)
guanine, 9-butyl- structure
Product Name:guanine, 9-butyl-
CAS No:93905-75-0
MF:C9H13N5O
MW:207.232420682907
CID:860972
PubChem ID:135415586
Update Time:2025-04-19
guanine, 9-butyl- Chemical and Physical Properties
Names and Identifiers
-
- guanine, 9-butyl-
- 2-amino-9-butyl-3H-purin-6-one
- NSC-39335
- 2-amino-9-butyl-1H-purin-6-one
- SCHEMBL6272731
- 93905-75-0
- CHEMBL113652
- 6H-Purin-6-one, 2-amino-9-butyl-1,9-dihydro-
- AKOS024324482
- NCGC00168565-01
- DTXSID60284849
- NSC39335
-
- Inchi： 1S/C9H13N5O/c1-2-3-4-14-5-11-6-7(14)12-9(10)13-8(6)15/h5H,2-4H2,1H3,(H3,10,12,13,15)
- InChI Key： RITMSEHRRVJGJR-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N=C(N)N1)N(C=N2)CCCC
Computed Properties
- Exact Mass: 207.112
- Monoisotopic Mass: 207.112
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 290
- 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: 0.4
- Topological Polar Surface Area: 85.3?2
Experimental Properties
- Density: 1.49
- Boiling Point: 477.8°C at 760 mmHg
- Flash Point: 242.8°C
- Refractive Index: 1.717
guanine, 9-butyl- Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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