Cas no 208450-40-2 (5-Benzoxazolamine,4-ethyl-)
5-Benzoxazolamine,4-ethyl- structure
Product Name:5-Benzoxazolamine,4-ethyl-
CAS No:208450-40-2
MF:C9H10N2O
MW:162.188501834869
CID:242005
PubChem ID:15480142
Update Time:2025-04-19
5-Benzoxazolamine,4-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Benzoxazolamine,4-ethyl-
- 4-ethyl-1,3-benzoxazol-5-amine
- SCHEMBL8213583
- JATKUHHROMUUBS-UHFFFAOYSA-N
- 208450-40-2
- 5-amino-4-ethylbenzoxazole
- 4-Ethylbenzo[d]oxazol-5-amine
-
- Inchi： 1S/C9H10N2O/c1-2-6-7(10)3-4-8-9(6)11-5-12-8/h3-5H,2,10H2,1H3
- InChI Key： JATKUHHROMUUBS-UHFFFAOYSA-N
- SMILES： O1C=NC2=C1C=CC(=C2CC)N
Computed Properties
- Exact Mass: 162.0794
- Monoisotopic Mass: 162.079312947g/mol
- 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
- XLogP3: 1.9
- Topological Polar Surface Area: 52?2
Experimental Properties
- PSA: 52.05
5-Benzoxazolamine,4-ethyl- Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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