Cas no 4964-38-9 (2,5-Diaminobenzoxazole)
2,5-Diaminobenzoxazole structure
Product Name:2,5-Diaminobenzoxazole
2,5-Diaminobenzoxazole Chemical and Physical Properties
Names and Identifiers
-
- AKOS006360243
- 2,5-Benzoxazolediamine
- SY130062
- 64037-26-9
- SCHEMBL6398262
- DTXSID80214047
- AC6531
- 4964-38-9
- BENZOXAZOLE, 2,5-DIAMINO-
- 1,3-benzoxazole-2,5-diamine
- DB-346501
- 2,5-Diaminobenzoxazol
- 2,5-Diaminobenzoxazole
- MFCD01664168
-
- Inchi： 1S/C7H7N3O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,8H2,(H2,9,10)
- InChI Key： KGVVXUNDDIZWEL-UHFFFAOYSA-N
- SMILES： O1C(N)=NC2C=C(C=CC1=2)N
Computed Properties
- Exact Mass: 149.059
- Monoisotopic Mass: 149.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 153
- 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: 1.2
- Topological Polar Surface Area: 78.1A^2
Experimental Properties
- Density: 1.432
- Boiling Point: 380.2°Cat760mmHg
- Flash Point: 183.7°C
2,5-Diaminobenzoxazole Related Literature
-
Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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