Cas no 5973-55-7 (Benzenamine,N-(1-methylpropyl)-2,6-dinitro-4-(trifluoromethyl)-)
5973-55-7 structure
Product Name:Benzenamine,N-(1-methylpropyl)-2,6-dinitro-4-(trifluoromethyl)-
CAS No:5973-55-7
MF:C11H12F3N3O4
MW:307.22589302063
CID:381287
PubChem ID:339051
Update Time:2025-04-19
Benzenamine,N-(1-methylpropyl)-2,6-dinitro-4-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,N-(1-methylpropyl)-2,6-dinitro-4-(trifluoromethyl)-
- N-butan-2-yl-2,6-dinitro-4-(trifluoromethyl)aniline
- 0137402
- A3236
- AC1L7P4J
- N-(butan-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline
- NSC363969
- NSC-363969
- ST4090127
- STK681717
- COAUHCNUULPWCV-UHFFFAOYSA-N
- AKOS037632389
- DTXSID60320751
- 5973-55-7
- N-(SEC-BUTYL)-N-[2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]AMINE
-
- Inchi： 1S/C11H12F3N3O4/c1-3-6(2)15-10-8(16(18)19)4-7(11(12,13)14)5-9(10)17(20)21/h4-6,15H,3H2,1-2H3
- InChI Key： COAUHCNUULPWCV-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C(=C(C=1)[N+](=O)[O-])NC(C)CC)[N+](=O)[O-])(F)F
Computed Properties
- Exact Mass: 307.07806
- Monoisotopic Mass: 307.078
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 370
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 104?2
Experimental Properties
- Density: 1.422
- Boiling Point: 344.9°C at 760 mmHg
- Flash Point: 162.4°C
- Refractive Index: 1.54
- PSA: 98.31
- LogP: 4.85160
Benzenamine,N-(1-methylpropyl)-2,6-dinitro-4-(trifluoromethyl)- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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