Cas no 61108-78-9 (1,2,4-Triazin-3-amine, N-(2-chloroethyl)-5-methyl-)
61108-78-9 structure
Product Name:1,2,4-Triazin-3-amine, N-(2-chloroethyl)-5-methyl-
CAS No:61108-78-9
MF:C6H9ClN4
MW:172.61545920372
CID:491708
PubChem ID:12296683
Update Time:2025-04-19
1,2,4-Triazin-3-amine, N-(2-chloroethyl)-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Triazin-3-amine, N-(2-chloroethyl)-5-methyl-
- N-(2-chloroethyl)-5-methyl-1,2,4-triazin-3-amine
- 61108-78-9
- DTXSID40485675
-
- Inchi： 1S/C6H9ClN4/c1-5-4-9-11-6(10-5)8-3-2-7/h4H,2-3H2,1H3,(H,8,10,11)
- InChI Key： RDHNBYBDHDNRJB-UHFFFAOYSA-N
- SMILES： ClCCNC1N=NC=C(C)N=1
Computed Properties
- Exact Mass: 172.05177
- Monoisotopic Mass: 172.0515740g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 111
- 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: 0.5
- Topological Polar Surface Area: 50.7?2
Experimental Properties
- PSA: 50.7
1,2,4-Triazin-3-amine, N-(2-chloroethyl)-5-methyl- Related Literature
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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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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