Cas no 69491-71-0 (1,2-Benzisoxazol-5-amine,3-ethyl-(9CI))
69491-71-0 structure
Product Name:1,2-Benzisoxazol-5-amine,3-ethyl-(9CI)
CAS No:69491-71-0
MF:C9H10N2O
MW:162.188501834869
CID:500595
Update Time:2023-11-18
1,2-Benzisoxazol-5-amine,3-ethyl-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzisoxazol-5-amine,3-ethyl-
- 1,2-Benzisoxazol-5-amine,3-ethyl-(9CI)
- 3-ethylbenzo[d]isoxazol-5-amine
- CID 83635496
- 1,2-Benzisoxazol-5-amine, 3-ethyl-
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- Inchi: 1S/C9H10N2O/c1-2-8-7-5-6(10)3-4-9(7)12-11-8/h3-5H,2,10H2,1H3
- InChI Key: VJHWHYFVSGEVTG-UHFFFAOYSA-N
- SMILES: O1C2C=CC(=CC=2C(CC)=N1)N
Computed Properties
- Exact Mass: 162.079
- Monoisotopic Mass: 162.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 163
- 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: 52
1,2-Benzisoxazol-5-amine,3-ethyl-(9CI) Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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