Cas no 124427-77-6 (4-Quinazolinamine,8-fluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-)
![4-Quinazolinamine,8-fluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]- structure](https://ossimg.kuujia.com/scimg/124500/124427-77-6x500.png)
124427-77-6 structure
Product Name:4-Quinazolinamine,8-fluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-
CAS No:124427-77-6
MF:C17H13F4N3
MW:335.298837423325
CID:141919
PubChem ID:164159
Update Time:2025-04-19
4-Quinazolinamine,8-fluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- 4-Quinazolinamine,8-fluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-
- 8-Fluoro-N-{2-[3-(trifluoromethyl)phenyl]ethyl}quinazolin-4-amine
- 4-Quinazolinamine, 8-fluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-
- 8-Fluoro-N-(2-(3-(trifluoromethyl)phenyl)ethyl)-4-quinazolinamine
- 124427-77-6
- 4-Quinazolinamine, 8-fluoro-N-(2-(3-(trifluoromethyl)phenyl)ethyl)-
- DTXSID5073824
- CLJGHMBYRBUPEX-UHFFFAOYSA-N
- SCHEMBL8546216
- DTXCID1033822
-
- Inchi： 1S/C17H13F4N3/c18-14-6-2-5-13-15(14)23-10-24-16(13)22-8-7-11-3-1-4-12(9-11)17(19,20)21/h1-6,9-10H,7-8H2,(H,22,23,24)
- InChI Key： CLJGHMBYRBUPEX-UHFFFAOYSA-N
- SMILES： FC(C1=CC=CC(=C1)CCNC1C2C=CC=C(C=2N=CN=1)F)(F)F
Computed Properties
- Exact Mass: 335.10469
- Monoisotopic Mass: 335.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 404
- 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: 4.8
- Topological Polar Surface Area: 37.8?2
Experimental Properties
- Density: 1.372
- Boiling Point: 448.6°C at 760 mmHg
- Flash Point: 225.1°C
- Refractive Index: 1.603
- PSA: 37.81
4-Quinazolinamine,8-fluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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