Cas no 42517-85-1 ( )
structure
Product Name:
CAS No:42517-85-1
MF:C21H21N6
MW:357.431643247604
CID:928211
PubChem ID:494189
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6-tris(1-methylpyridin-1-ium-4-yl)-1,3,5-triazine
- NSC251527
- 2,4,6-Tris(1-methyl-1lambda(5)-pyridin-4-yl)-1,3,5-triazine
- 7PQH6G8PJ5
- 135973-20-5
- NSC 251527
- DTXSID20195301
- 2,4,6-Tris(1-methyl-1.lambda.~5~-pyridin-4-yl)-1,3,5-triazine
- SCHEMBL20524253
- Pyridinium, 4,4',4''-(1,3,5-triazine-2,4,6-triyl)tris[1-methyl-
- 42517-85-1
- NSC-251527
-
-
- Inchi： 1S/C21H21N6/c1-25-10-4-16(5-11-25)19-22-20(17-6-12-26(2)13-7-17)24-21(23-19)18-8-14-27(3)15-9-18/h4-15H,1-3H3/q+3
- InChI Key： QCGJNNPLMNXQQC-UHFFFAOYSA-N
- SMILES： [N+]1(C)C=CC(=CC=1)C1N=C(C2C=C[N+](C)=CC=2)N=C(C2C=C[N+](C)=CC=2)N=1
Computed Properties
- Exact Mass: 357.18276970g/mol
- Monoisotopic Mass: 357.18276970g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 27
- Rotatable Bond Count: 3
- Complexity: 371
- 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: 2.1
- Topological Polar Surface Area: 50.3?2
Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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