Cas no 27314-98-3 (1,2,4-Benzotriazin-3-amine,7-methyl-, 1,4-dioxide)
27314-98-3 structure
Product Name:1,2,4-Benzotriazin-3-amine,7-methyl-, 1,4-dioxide
CAS No:27314-98-3
MF:C8H8N4O2
MW:192.17472076416
CID:251012
PubChem ID:135455538
Update Time:2025-04-19
1,2,4-Benzotriazin-3-amine,7-methyl-, 1,4-dioxide Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Benzotriazin-3-amine,7-methyl-, 1,4-dioxide
- 4-hydroxy-7-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-imine
- 3-Amino-7-methyl-1,2,4-benzotriazine 1,4-dioxide
- 7-Methyl-1,4-dioxido-1,2,4-benzotriazin-3-ylamine
- NSC-613695
- NSC613695
- 3-Imino-7-methyl-1-oxo-1lambda~5~,2,4-benzotriazin-4(3H)-ol
- 27314-98-3
- CHEMBL51986
- DTXSID70326749
-
- Inchi： 1S/C8H8N4O2/c1-5-2-3-6-7(4-5)12(14)10-8(9)11(6)13/h2-4H,1H3,(H2,9,10)
- InChI Key： DOZSFZTUKMQMEQ-UHFFFAOYSA-N
- SMILES： [O-][N+]1C(N)=N[N+](=C2C=C(C)C=CC=12)[O-]
Computed Properties
- Exact Mass: 192.06500
- Monoisotopic Mass: 192.065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 291
- 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
- Topological Polar Surface Area: 89.8?2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.3
Experimental Properties
- PSA: 89.83000
- LogP: 1.56360
1,2,4-Benzotriazin-3-amine,7-methyl-, 1,4-dioxide Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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