Cas no 7463-59-4 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
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- 3-methyl-5-nitropyridine-2,6-diamine
- NSC404705
- DTXSID60323707
- 7463-59-4
- NSC-404705
-
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- Inchi： 1S/C6H8N4O2/c1-3-2-4(10(11)12)6(8)9-5(3)7/h2H,1H3,(H4,7,8,9)
- InChI Key： KROFGKOVDLYVJY-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=C(N)N=C(C(C)=C1)N)=O
Computed Properties
- Exact Mass: 168.06484
- Monoisotopic Mass: 168.065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 181
- 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: 0.9
- Topological Polar Surface Area: 111?2
Experimental Properties
- Density: 1.457
- Boiling Point: 436.7°C at 760 mmHg
- Flash Point: 217.9°C
- Refractive Index: 1.692
- PSA: 108.07
Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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