Cas no 53115-46-1 (1,3,5-Triazine-2,4-diamine, 6-chloro-N'-ethyl-N,N-dimethyl-)
53115-46-1 structure
Product Name:1,3,5-Triazine-2,4-diamine, 6-chloro-N'-ethyl-N,N-dimethyl-
CAS No:53115-46-1
MF:C7H12ClN5
MW:201.656679153442
CID:358023
PubChem ID:13203366
Update Time:2025-04-19
1,3,5-Triazine-2,4-diamine, 6-chloro-N'-ethyl-N,N-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Triazine-2,4-diamine, 6-chloro-N'-ethyl-N,N-dimethyl-
- 6-chloro-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
- 6-Chloro-N~4~-ethyl-N~2~,N~2~-dimethyl-1,3,5-triazine-2,4-diamine
- 53115-46-1
- AKOS012165937
- DTXSID40527281
-
- Inchi： 1S/C7H12ClN5/c1-4-9-6-10-5(8)11-7(12-6)13(2)3/h4H2,1-3H3,(H,9,10,11,12)
- InChI Key： CMIARNYKAHQBQX-UHFFFAOYSA-N
- SMILES： ClC1N=C(N=C(N=1)N(C)C)NCC
Computed Properties
- Exact Mass: 201.07836
- Monoisotopic Mass: 201.0781231g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 154
- 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: 53.9?2
Experimental Properties
- PSA: 53.94
1,3,5-Triazine-2,4-diamine, 6-chloro-N'-ethyl-N,N-dimethyl- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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