Cas no 5285-76-7 (2-azepan-1-yl-N'-[(1E)-phenylmethylidene]acetohydrazide)
![2-azepan-1-yl-N'-[(1E)-phenylmethylidene]acetohydrazide structure](https://ossimg.kuujia.com/scimg/5500/5285-76-7x500.png)
5285-76-7 structure
Product Name:2-azepan-1-yl-N'-[(1E)-phenylmethylidene]acetohydrazide
CAS No:5285-76-7
MF:C9H9NO2S
MW:195.238260984421
CID:1584440
PubChem ID:5002376
Update Time:2025-04-21
2-azepan-1-yl-N'-[(1E)-phenylmethylidene]acetohydrazide Chemical and Physical Properties
Names and Identifiers
-
- 2-azepan-1-yl-N'-[(1E)-phenylmethylidene]acetohydrazide
- 4-Thiocyanoveratrole
- DTXSID30967319
- 3,4-dimethoxyphenyl thiocyanate
- Thiocyanic acid, 3,4-dimethoxyphenyl ester
- SCHEMBL3408344
- 5285-76-7
- AKOS024337474
-
- Inchi： 1S/C9H9NO2S/c1-11-8-4-3-7(13-6-10)5-9(8)12-2/h3-5H,1-2H3
- InChI Key： WYWHPHJEJJOKGT-UHFFFAOYSA-N
- SMILES： S(C#N)C1C=CC(=C(C=1)OC)OC
Computed Properties
- Exact Mass: 259.16863
- Monoisotopic Mass: 195.035
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 201
- 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: 2.6
- Topological Polar Surface Area: 67.6A^2
Experimental Properties
- Density: 1.1
- Refractive Index: 1.574
- PSA: 44.7
2-azepan-1-yl-N'-[(1E)-phenylmethylidene]acetohydrazide Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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