Cas no 74615-31-9 (Benzamide,4-(cyanoamino)-)
Benzamide,4-(cyanoamino)- structure
Product Name:Benzamide,4-(cyanoamino)-
CAS No:74615-31-9
MF:C8H7N3O
MW:161.160681009293
CID:556942
PubChem ID:19926827
Update Time:2025-04-19
Benzamide,4-(cyanoamino)- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide,4-(cyanoamino)-
- 4-(cyanoamino)benzamide
- Benzamide, 4-(cyanoamino)- (9CI)
- SCHEMBL11337086
- DTXSID10601345
- AKOS011772776
- 74615-31-9
-
- Inchi： 1S/C8H7N3O/c9-5-11-7-3-1-6(2-4-7)8(10)12/h1-4,11H,(H2,10,12)
- InChI Key： VLKRVGQWKJXFJI-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(=CC=1)NC#N)N
Computed Properties
- Exact Mass: 161.058911855g/mol
- Monoisotopic Mass: 161.058911855g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 210
- 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: 1.1
- Topological Polar Surface Area: 78.9?2
Benzamide,4-(cyanoamino)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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