Cas no 4653-94-5 (1,3,5-Triazin-2-amine,4-chloro-N-ethyl-6-methoxy-)
4653-94-5 structure
Product Name:1,3,5-Triazin-2-amine,4-chloro-N-ethyl-6-methoxy-
CAS No:4653-94-5
MF:C6H9ClN4O
MW:188.614859342575
CID:333367
PubChem ID:20767
Update Time:2025-04-19
1,3,5-Triazin-2-amine,4-chloro-N-ethyl-6-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Triazin-2-amine,4-chloro-N-ethyl-6-methoxy-
- 4-chloro-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
- AKOS012154469
- DTXSID20274680
- SCHEMBL9528867
- 4653-94-5
-
- Inchi: 1S/C6H9ClN4O/c1-3-8-5-9-4(7)10-6(11-5)12-2/h3H2,1-2H3,(H,8,9,10,11)
- InChI Key: JTKAZZCBWKPGQU-UHFFFAOYSA-N
- SMILES: ClC1N=C(N=C(N=1)NCC)OC
Computed Properties
- Exact Mass: 188.04667
- Monoisotopic Mass: 188.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 137
- 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: 59.9A^2
Experimental Properties
- Density: 1.337
- Boiling Point: 336°C at 760 mmHg
- Flash Point: 157°C
- Refractive Index: 1.571
- PSA: 59.93
1,3,5-Triazin-2-amine,4-chloro-N-ethyl-6-methoxy- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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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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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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