Cas no 60422-23-3 (2-Propenamide, N,N'-1,4-butanediylbis[3-(3,4-dihydroxyphenyl)-)
60422-23-3 structure
Product Name:2-Propenamide, N,N'-1,4-butanediylbis[3-(3,4-dihydroxyphenyl)-
CAS No:60422-23-3
MF:C22H24N2O6
MW:412.435766220093
CID:497792
PubChem ID:54435377
Update Time:2025-04-19
2-Propenamide, N,N'-1,4-butanediylbis[3-(3,4-dihydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
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- 3-(3,4-dihydroxyphenyl)-N-[4-[3-(3,4-dihydroxyphenyl)prop-2-enoylamino]butyl]prop-2-enamide
- 2-Propenamide, N,N'-1,4-butanediylbis[3-(3,4-dihydroxyphenyl)-
-
- Inchi： 1S/C22H24N2O6/c25-17-7-3-15(13-19(17)27)5-9-21(29)23-11-1-2-12-24-22(30)10-6-16-4-8-18(26)20(28)14-16/h3-10,13-14,25-28H,1-2,11-12H2,(H,23,29)(H,24,30)
- InChI Key： WKIWXOKCKNMLIX-UHFFFAOYSA-N
- SMILES： O=C(C=CC1C=CC(=C(C=1)O)O)NCCCCNC(C=CC1C=CC(=C(C=1)O)O)=O
Computed Properties
- Exact Mass: 412.16352
- Monoisotopic Mass: 412.16343649g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 30
- Rotatable Bond Count: 9
- Complexity: 556
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 2.4
- Topological Polar Surface Area: 139?2
Experimental Properties
- PSA: 139.12
2-Propenamide, N,N'-1,4-butanediylbis[3-(3,4-dihydroxyphenyl)- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
60422-23-3 (2-Propenamide, N,N'-1,4-butanediylbis[3-(3,4-dihydroxyphenyl)-) Related Products
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