Cas no 54416-39-6 (1,8-Naphthyridine, 2,4,6-trimethyl-)
54416-39-6 structure
Product Name:1,8-Naphthyridine, 2,4,6-trimethyl-
CAS No:54416-39-6
MF:C11H12N2
MW:172.226382255554
CID:354660
PubChem ID:12342724
Update Time:2025-04-19
1,8-Naphthyridine, 2,4,6-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,8-Naphthyridine, 2,4,6-trimethyl-
- 2,4,6-trimethyl-1,8-naphthyridine
- 54416-39-6
- DTXSID30492252
-
- Inchi： 1S/C11H12N2/c1-7-4-10-8(2)5-9(3)13-11(10)12-6-7/h4-6H,1-3H3
- InChI Key： MBQFVDZTIBMWRH-UHFFFAOYSA-N
- SMILES： N1C(C)=CC(C)=C2C=C(C)C=NC=12
Computed Properties
- Exact Mass: 172.10016
- Monoisotopic Mass: 172.100048391g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 181
- 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: 2.6
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
1,8-Naphthyridine, 2,4,6-trimethyl- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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