Cas no 124427-79-8 (4-Quinazolinamine,N-[2-[4-(trifluoromethyl)phenyl]ethyl]-)
![4-Quinazolinamine,N-[2-[4-(trifluoromethyl)phenyl]ethyl]- structure](https://ossimg.kuujia.com/scimg/124500/124427-79-8x500.png)
124427-79-8 structure
Product Name:4-Quinazolinamine,N-[2-[4-(trifluoromethyl)phenyl]ethyl]-
CAS No:124427-79-8
MF:C17H14F3N3
MW:317.30837392807
CID:157963
PubChem ID:164160
Update Time:2025-04-19
4-Quinazolinamine,N-[2-[4-(trifluoromethyl)phenyl]ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- 4-Quinazolinamine,N-[2-[4-(trifluoromethyl)phenyl]ethyl]-
- N-{2-[4-(Trifluoromethyl)phenyl]ethyl}quinazolin-4-amine
- AKOS033230297
- SCHEMBL8541235
- 4-Quinazolinamine, N-[2-[4-(trifluoromethyl)phenyl]ethyl]-
- 124427-79-8
- N-[2-[4-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine
- N-(2-(4-(Trifluoromethyl)phenyl)ethyl)-4-quinazolinamine
- 4-Quinazolinamine, N-(2-(4-(trifluoromethyl)phenyl)ethyl)-
- NQDHLDRPCOXXAZ-UHFFFAOYSA-N
- Z127658512
- DTXSID0073825
-
- Inchi： 1S/C17H14F3N3/c18-17(19,20)13-7-5-12(6-8-13)9-10-21-16-14-3-1-2-4-15(14)22-11-23-16/h1-8,11H,9-10H2,(H,21,22,23)
- InChI Key： NQDHLDRPCOXXAZ-UHFFFAOYSA-N
- SMILES： FC(C1C=CC(=CC=1)CCNC1C2C=CC=CC=2N=CN=1)(F)F
Computed Properties
- Exact Mass: 317.11412
- Monoisotopic Mass: 317.113982
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 367
- 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: 5.3
- Topological Polar Surface Area: 37.8
Experimental Properties
- Density: 1.321
- Boiling Point: 454.7°Cat760mmHg
- Flash Point: 228.8°C
- Refractive Index: 1.616
- PSA: 37.81
4-Quinazolinamine,N-[2-[4-(trifluoromethyl)phenyl]ethyl]- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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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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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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