Cas no 829-28-7 (Acetonitrile, [(4-methylphenyl)nitrosoamino]-)
![Acetonitrile, [(4-methylphenyl)nitrosoamino]- structure](https://ossimg.kuujia.com/scimg/1000/829-28-7x500.png)
829-28-7 structure
Product Name:Acetonitrile, [(4-methylphenyl)nitrosoamino]-
Acetonitrile, [(4-methylphenyl)nitrosoamino]- Chemical and Physical Properties
Names and Identifiers
-
- Acetonitrile, [(4-methylphenyl)nitrosoamino]-
- N-(cyanomethyl)-N-(4-methylphenyl)nitrous amide
- DTXSID50400399
- Z56855169
- AKOS001063201
- 829-28-7
-
- Inchi： 1S/C9H9N3O/c1-8-2-4-9(5-3-8)12(11-13)7-6-10/h2-5H,7H2,1H3
- InChI Key： YXXYQAIFYOCTPM-UHFFFAOYSA-N
- SMILES： O=NN(CC#N)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 175.074561919g/mol
- Monoisotopic Mass: 175.074561919g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 212
- 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: 1.9
- Topological Polar Surface Area: 56.5?2
Acetonitrile, [(4-methylphenyl)nitrosoamino]- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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