Cas no 61626-12-8 (1,10-Phenanthroline, 2,5,9-trimethyl-)
61626-12-8 structure
Product Name:1,10-Phenanthroline, 2,5,9-trimethyl-
CAS No:61626-12-8
MF:C15H14N2
MW:222.285063266754
CID:472312
PubChem ID:14256404
Update Time:2025-04-19
1,10-Phenanthroline, 2,5,9-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,10-Phenanthroline, 2,5,9-trimethyl-
- 2,5,9-trimethyl-1,10-phenanthroline
- DTXSID00558091
- SCHEMBL3225066
- 61626-12-8
-
- Inchi: 1S/C15H14N2/c1-9-8-12-6-4-10(2)16-14(12)15-13(9)7-5-11(3)17-15/h4-8H,1-3H3
- InChI Key: JGKOXUBKIHYWNL-UHFFFAOYSA-N
- SMILES: N1C(C)=CC=C2C(C)=CC3=CC=C(C)N=C3C=12
Computed Properties
- Exact Mass: 222.11582
- Monoisotopic Mass: 222.115698455g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 278
- 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: 3.6
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
1,10-Phenanthroline, 2,5,9-trimethyl- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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