Cas no 215535-58-3 (1,2,4-Benzotriazin-3-amine, N-ethyl-, 1,4-dioxide)
215535-58-3 structure
Product Name:1,2,4-Benzotriazin-3-amine, N-ethyl-, 1,4-dioxide
CAS No:215535-58-3
MF:C9H10N4O2
MW:206.20130109787
CID:2835928
PubChem ID:135455643
Update Time:2025-04-21
1,2,4-Benzotriazin-3-amine, N-ethyl-, 1,4-dioxide Chemical and Physical Properties
Names and Identifiers
-
- N-Ethyl-1,4-benzotriazin-3-amine 1,4-dioxide
- 1,2,4-Benzotriazin-3-amine, N-ethyl-, 1,4-dioxide
- 215535-58-3
- 3-(Ethylamino)Benzo[E][1,2,4]Triazine 1,4-Dioxide
- SCHEMBL15009297
- CHEMBL214041
- NSC-621117
- DTXSID80326896
- NSC621117
- N-ethyl-1,4-dioxido-1,2,4-benzotriazine-1,4-diium-3-amine
-
- Inchi： 1S/C9H10N4O2/c1-2-10-9-11-13(15)8-6-4-3-5-7(8)12(9)14/h3-6H,2H2,1H3,(H,10,11)
- InChI Key： NWSLANWZVFGEIT-UHFFFAOYSA-N
- SMILES： [O-][N+]1C(=N[N+](=C2C=CC=CC=12)[O-])NCC
Computed Properties
- Exact Mass: 206.08037557Da
- Monoisotopic Mass: 206.08037557Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 216
- 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: 0.7
- Topological Polar Surface Area: 75.8?2
1,2,4-Benzotriazin-3-amine, N-ethyl-, 1,4-dioxide Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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