Cas no 13689-45-7 (6(2H)-Phenanthridinone, 1,3,4,5,7,8,9,10-octahydro-)
13689-45-7 structure
Product Name:6(2H)-Phenanthridinone, 1,3,4,5,7,8,9,10-octahydro-
CAS No:13689-45-7
MF:C13H17NO
MW:203.280183553696
CID:1241558
PubChem ID:2306217
Update Time:2025-04-20
6(2H)-Phenanthridinone, 1,3,4,5,7,8,9,10-octahydro- Chemical and Physical Properties
Names and Identifiers
-
- 6(2H)-Phenanthridinone, 1,3,4,5,7,8,9,10-octahydro-
- 2,3,4,5,7,8,9,10-octahydro-1H-phenanthridin-6-one
- 1,3,4,5,7,8,9,10-octahydrophenanthridin-6(2 h )-one
- AKOS024298964
- 1,3,4,5,7,8,9,10-octahydro-6(2H)-phenanthridinone
- DTXSID10367959
- EU-0040454
- SMR000060882
- 13689-45-7
- MLS000054514
- HMS2505M05
- Z56801801
- CHEMBL1376108
-
- Inchi： 1S/C13H17NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H2,(H,14,15)
- InChI Key： PIRYUTURFGWSAC-UHFFFAOYSA-N
- SMILES： O=C1C2CCCCC=2C2=C(CCCC2)N1
Computed Properties
- Exact Mass: 203.13111
- Monoisotopic Mass: 203.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 376
- 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: 29.1?2
Experimental Properties
- PSA: 29.1
6(2H)-Phenanthridinone, 1,3,4,5,7,8,9,10-octahydro- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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