Cas no 59749-65-4 (Formamide,N-(2-cyanoethyl)-)
Formamide,N-(2-cyanoethyl)- structure
Product Name:Formamide,N-(2-cyanoethyl)-
CAS No:59749-65-4
MF:C4H6N2O
MW:98.1032404899597
CID:383983
PubChem ID:350445
Update Time:2025-04-19
Formamide,N-(2-cyanoethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Formamide,N-(2-cyanoethyl)-
- N-(2-cyanoethyl)formamide
- 3-Formamino-propionitril
- 3-Formamino-propionsaeure-nitril
- AC1L6WAC
- N-(2-cyanoethyl)-formamide
- NSC510520
- AKOS006346847
- DTXSID00325548
- NSC-510520
- 59749-65-4
- (2-cyanoethyl) formamide
-
- Inchi： 1S/C4H6N2O/c5-2-1-3-6-4-7/h4H,1,3H2,(H,6,7)
- InChI Key： LWUUXENGQFMODR-UHFFFAOYSA-N
- SMILES： O=CNCCC#N
Computed Properties
- Exact Mass: 98.04808
- Monoisotopic Mass: 98.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 91.1
- 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: -0.8
- Topological Polar Surface Area: 52.9?2
Experimental Properties
- Density: 1.042
- Boiling Point: 378.1°Cat760mmHg
- Flash Point: 182.5°C
- Refractive Index: 1.429
- PSA: 52.89
- LogP: 0.67288
Formamide,N-(2-cyanoethyl)- 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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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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Xiuxia Yang,Lei Zhao,Zhichao Liu,Shuyu Tian,Hao Zhang,Xuhui Xu,Jianbei Qiu,Xue Yu Phys. Chem. Chem. Phys., 2020,22, 16294-16300
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Attila N. Lázár,Derek Clarke,Helen Adams,Abdur Razzaque Akanda,Sylvia Szabo,Robert J. Nicholls,Zoe Matthews,Dilruba Begum,Abul Fazal M. Saleh,Md. Anwarul Abedin,Andres Payo,Peter Kim Streatfield,Craig Hutton,M. Shahjahan Mondal,Abu Zofar Md. Moslehuddin Environ. Sci.: Processes Impacts, 2015,17, 1018-1031
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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