Cas no 132951-61-2 (5-Benzoxazolemethanamine,2-(4-fluorophenyl)-a-methyl-, (S)- (9CI))
132951-61-2 structure
Product Name:5-Benzoxazolemethanamine,2-(4-fluorophenyl)-a-methyl-, (S)- (9CI)
CAS No:132951-61-2
MF:C15H13FN2O
MW:256.274926900864
CID:152093
PubChem ID:131567
Update Time:2025-04-19
5-Benzoxazolemethanamine,2-(4-fluorophenyl)-a-methyl-, (S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 5-Benzoxazolemethanamine,2-(4-fluorophenyl)-a-methyl-, (S)- (9CI)
- (4-fluorophenyl)-alpha-methyl-5-benzoxazole methylamine
- N-ethyl-2-(4-fluorophenyl)-1,3-benzoxazol-5-amine
- S-Flopa
- DTXSID10157877
- AKOS025126803
- 132951-61-2
-
- Inchi： 1S/C15H13FN2O/c1-2-17-12-7-8-14-13(9-12)18-15(19-14)10-3-5-11(16)6-4-10/h3-9,17H,2H2,1H3
- InChI Key： AWAAHDPOYMRMOQ-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1)C1=NC2C=C(C=CC=2O1)NCC
Computed Properties
- Exact Mass: 256.10129
- Monoisotopic Mass: 256.101
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 294
- 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: 3.9
- Topological Polar Surface Area: 38.1?2
Experimental Properties
- Density: 1.249
- Boiling Point: 376.6°Cat760mmHg
- Flash Point: 181.6°C
- Refractive Index: 1.633
- PSA: 38.06
5-Benzoxazolemethanamine,2-(4-fluorophenyl)-a-methyl-, (S)- (9CI) Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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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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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