Cas no 479244-15-0 (2-Propenamide, 3-(3,4-dihydroxyphenyl)-N-propyl-, (2E)- (9CI))
479244-15-0 structure
Product Name:2-Propenamide, 3-(3,4-dihydroxyphenyl)-N-propyl-, (2E)- (9CI)
CAS No:479244-15-0
MF:C12H15NO3
MW:221.252403497696
CID:1019609
PubChem ID:57358130
Update Time:2025-04-20
2-Propenamide, 3-(3,4-dihydroxyphenyl)-N-propyl-, (2E)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 2-Propenamide, 3-(3,4-dihydroxyphenyl)-N-propyl-, (2E)- (9CI)
- 3-(3,4-dihydroxyphenyl)-N-propylprop-2-enamide
- DTXSID90724021
- 479244-15-0
-
- Inchi： 1S/C12H15NO3/c1-2-7-13-12(16)6-4-9-3-5-10(14)11(15)8-9/h3-6,8,14-15H,2,7H2,1H3,(H,13,16)
- InChI Key： RUEAFFGYGBHHJS-UHFFFAOYSA-N
- SMILES： OC1=C(C=CC(=C1)C=CC(NCCC)=O)O
Computed Properties
- Exact Mass: 221.10519334g/mol
- Monoisotopic Mass: 221.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 253
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.9
- Topological Polar Surface Area: 69.6?2
2-Propenamide, 3-(3,4-dihydroxyphenyl)-N-propyl-, (2E)- (9CI) Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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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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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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