Cas no 40299-04-5 (N-(2,4-Dinitrophenyl)hexamethylenediamine)
40299-04-5 structure
Product Name:N-(2,4-Dinitrophenyl)hexamethylenediamine
CAS No:40299-04-5
MF:C12H18N4O4
MW:282.295722484589
CID:2632098
PubChem ID:191014
Update Time:2025-04-21
N-(2,4-Dinitrophenyl)hexamethylenediamine Chemical and Physical Properties
Names and Identifiers
-
- N'-(2,4-dinitrophenyl)hexane-1,6-diamine
- DTXSID40960735
- N~1~-(2,4-Dinitrophenyl)hexane-1,6-diamine
- SCHEMBL4557828
- N-(6-aminohexyl)-2,4dinitroaniline
- N-(2,4-Dinitrophenyl)hexamethylenediamine
- 1,6-Hexanediamine, N-(2,4-dinitrophenyl)-
- 40299-04-5
-
- Inchi： 1S/C12H18N4O4/c13-7-3-1-2-4-8-14-11-6-5-10(15(17)18)9-12(11)16(19)20/h5-6,9,14H,1-4,7-8,13H2
- InChI Key： JFANIWXQMKVPKH-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=CC=1NCCCCCCN)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 282.133
- Monoisotopic Mass: 282.133
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 7
- Complexity: 316
- 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: 2.7
- Topological Polar Surface Area: 130?2
Experimental Properties
- Density: 1.29
- Boiling Point: 465.8°C at 760 mmHg
- Flash Point: 235.5°C
- Refractive Index: 1.608
N-(2,4-Dinitrophenyl)hexamethylenediamine Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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