Cas no 3455-64-9 ([(e)-[(e)-4-(5-nitrofuran-2-yl)but-3-en-2-ylidene]amino]urea)
![[(e)-[(e)-4-(5-nitrofuran-2-yl)but-3-en-2-ylidene]amino]urea structure](https://ossimg.kuujia.com/scimg/3500/3455-64-9x500.png)
3455-64-9 structure
Product Name:[(e)-[(e)-4-(5-nitrofuran-2-yl)but-3-en-2-ylidene]amino]urea
CAS No:3455-64-9
MF:C9H10N4O4
MW:238.20010137558
CID:1464617
PubChem ID:5981666
Update Time:2025-04-20
[(e)-[(e)-4-(5-nitrofuran-2-yl)but-3-en-2-ylidene]amino]urea Chemical and Physical Properties
Names and Identifiers
-
- [(e)-[(e)-4-(5-nitrofuran-2-yl)but-3-en-2-ylidene]amino]urea
- BRN 0027274
- NSC53254
- AC1O07RI
- AC1Q5AZ0
- 2-[4-(5-nitrofuran-2-yl)but-3-en-2-ylidene]hydrazinecarboxamide
- NSC-53254
- LS-70044
- 4-17-00-04722 (Beilstein Handbook Reference)
- BRN 0027274; NSC53254; AC1O07RI; AC1Q5AZ0; 2-[4-(5-nitrofuran-2-yl)but-3-en-2-ylidene]hydrazinecarboxamide; NSC-53254; LS-70044; 4-17-00-04722 (Beilstein Handbook Reference);
- 2-FURANACROLEIN, alpha-METHYL-5-NITRO-, SEMICARBAZONE
- 3455-64-9
- 3455-70-7
- alpha-Methyl-5-nitro-2-furanacrolein semicarbazone
-
- Inchi： 1S/C9H10N4O4/c1-6(11-12-9(10)14)2-3-7-4-5-8(17-7)13(15)16/h2-5H,1H3,(H3,10,12,14)/b3-2+,11-6+
- InChI Key： CINUUHOYDXCJFA-PDGXAJGZSA-N
- SMILES： O1C(=CC=C1/C=C/C(/C)=N/NC(N)=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 238.07020481g/mol
- Monoisotopic Mass: 238.07020481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 361
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 126?2
[(e)-[(e)-4-(5-nitrofuran-2-yl)but-3-en-2-ylidene]amino]urea Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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