Cas no 84688-50-6 (2(1H)-Quinoxalinone,octahydro-3-methyl-)
84688-50-6 structure
Product Name:2(1H)-Quinoxalinone,octahydro-3-methyl-
CAS No:84688-50-6
MF:C9H16N2O
MW:168.236142158508
CID:707438
PubChem ID:13125045
Update Time:2025-04-19
2(1H)-Quinoxalinone,octahydro-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Quinoxalinone,octahydro-3-methyl-
- 2(1H)-Quinoxalinone,octahydro-3-methyl-(9CI)
- DTXSID801283013
- 84688-50-6
- SCHEMBL10732298
- 3-methyl-decahydroquinoxalin-2-one
- 3-Methyloctahydroquinoxalin-2(1H)-one
- Octahydro-3-methyl-2(1H)-quinoxalinone
-
- Inchi： 1S/C9H16N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h6-8,10H,2-5H2,1H3,(H,11,12)
- InChI Key： PSVXBULIIBBMIW-UHFFFAOYSA-N
- SMILES： O=C1C(C)NC2CCCCC2N1
Computed Properties
- Exact Mass: 168.126263138g/mol
- Monoisotopic Mass: 168.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 193
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 41.1?2
2(1H)-Quinoxalinone,octahydro-3-methyl- Related Literature
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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