Cas no 31191-21-6 (2-Propenamide,N-(3-methylphenyl)-3-(4-nitrophenyl)-)
31191-21-6 structure
Product Name:2-Propenamide,N-(3-methylphenyl)-3-(4-nitrophenyl)-
CAS No:31191-21-6
MF:C16H14N2O3
MW:282.293963909149
CID:320534
PubChem ID:5351237
Update Time:2025-04-19
2-Propenamide,N-(3-methylphenyl)-3-(4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenamide,N-(3-methylphenyl)-3-(4-nitrophenyl)-
- NSC-139109
- CHEMBL2006535
- SR-01000401708-1
- SR-01000401708
- (E)-N-(3-methylphenyl)-3-(4-nitrophenyl)prop-2-enamide
- CCG-35203
- SCHEMBL20526857
- 31191-21-6
- PD011421
- AKOS001606129
- (2E)-N-(3-METHYLPHENYL)-3-(4-NITROPHENYL)PROP-2-ENAMIDE
- NSC139109
-
- Inchi: 1S/C16H14N2O3/c1-12-3-2-4-14(11-12)17-16(19)10-7-13-5-8-15(9-6-13)18(20)21/h2-11H,1H3,(H,17,19)/b10-7+
- InChI Key: VPNQICVSXJMXGC-JXMROGBWSA-N
- SMILES: O=C(/C=C/C1C=CC(=CC=1)[N+](=O)[O-])NC1=CC=CC(C)=C1
Computed Properties
- Exact Mass: 282.10052
- Monoisotopic Mass: 282.10044231g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 395
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 74.9?2
Experimental Properties
- PSA: 72.24
2-Propenamide,N-(3-methylphenyl)-3-(4-nitrophenyl)- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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