Cas no 68163-26-8 (2,4-Pyrimidinediamine, 6-(3-azabicyclo[3.2.2]non-3-yl)-, 3-oxide)
68163-26-8 structure
Product Name:2,4-Pyrimidinediamine, 6-(3-azabicyclo[3.2.2]non-3-yl)-, 3-oxide
CAS No:68163-26-8
MF:C12H19N5O
MW:249.312161684036
CID:393620
PubChem ID:20384862
Update Time:2025-04-19
2,4-Pyrimidinediamine, 6-(3-azabicyclo[3.2.2]non-3-yl)-, 3-oxide Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pyrimidinediamine, 6-(3-azabicyclo[3.2.2]non-3-yl)-, 3-oxide
- 6-(3-azabicyclo[3.2.2]nonan-3-yl)-3-hydroxy-2-iminopyrimidin-4-amine
- DTXSID00606521
- 6-Amino-4-(3-azabicyclo[3.2.2]nonan-3-yl)-2-iminopyrimidin-1(2H)-ol
- SCHEMBL11535820
- 68163-26-8
-
- Inchi: 1S/C12H19N5O/c13-10-5-11(15-12(14)17(10)18)16-6-8-1-2-9(7-16)4-3-8/h5,8-9,14,18H,1-4,6-7,13H2
- InChI Key: YCSYDSSXPFQHMZ-UHFFFAOYSA-N
- SMILES: ON1C(=N)N=C(C=C1N)N1CC2CCC(C1)CC2
Computed Properties
- Exact Mass: 249.15917
- Monoisotopic Mass: 249.15896025g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 408
- 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: 1.9
- Topological Polar Surface Area: 88.9?2
Experimental Properties
- PSA: 95.11
2,4-Pyrimidinediamine, 6-(3-azabicyclo[3.2.2]non-3-yl)-, 3-oxide Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
68163-26-8 (2,4-Pyrimidinediamine, 6-(3-azabicyclo[3.2.2]non-3-yl)-, 3-oxide) Related Products
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