Cas no 802288-13-7 (Benzonitrile,2,3,5,6-tetraamino-)
802288-13-7 structure
Product Name:Benzonitrile,2,3,5,6-tetraamino-
CAS No:802288-13-7
MF:C7H9N5
MW:163.179859876633
CID:713414
Update Time:2024-02-04
Benzonitrile,2,3,5,6-tetraamino- Chemical and Physical Properties
Names and Identifiers
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- Benzonitrile,2,3,5,6-tetraamino-
- Benzonitrile, 2,3,5,6-tetraamino-
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- Inchi： 1S/C7H9N5/c8-2-3-6(11)4(9)1-5(10)7(3)12/h1H,9-12H2
- InChI Key： DHFDYNQTEHWBGL-UHFFFAOYSA-N
- SMILES： C(#N)C1=C(N)C(N)=CC(N)=C1N
Computed Properties
- Exact Mass: 163.086
- Monoisotopic Mass: 163.086
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 193
- 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
- Topological Polar Surface Area: 128A^2
Benzonitrile,2,3,5,6-tetraamino- 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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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