Cas no 833454-97-0 (Benzeneethanamine, N-(4-methyl-2-nitrophenyl)-)
833454-97-0 structure
Product Name:Benzeneethanamine, N-(4-methyl-2-nitrophenyl)-
CAS No:833454-97-0
MF:C15H16N2O2
MW:256.299743652344
CID:673314
PubChem ID:43349357
Update Time:2025-04-19
Benzeneethanamine, N-(4-methyl-2-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneethanamine, N-(4-methyl-2-nitrophenyl)-
- 4-methyl-2-nitro-N-(2-phenylethyl)aniline
- SCHEMBL18184326
- DTXSID10655909
- 833454-97-0
- N-phenethyl-4-methyl-2-nitroaniline
-
- Inchi： 1S/C15H16N2O2/c1-12-7-8-14(15(11-12)17(18)19)16-10-9-13-5-3-2-4-6-13/h2-8,11,16H,9-10H2,1H3
- InChI Key： JXJBGMRPVPXQQC-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C)C=CC=1NCCC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 256.121177757g/mol
- Monoisotopic Mass: 256.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 284
- 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: 4.6
- Topological Polar Surface Area: 57.8?2
Benzeneethanamine, N-(4-methyl-2-nitrophenyl)- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
833454-97-0 (Benzeneethanamine, N-(4-methyl-2-nitrophenyl)-) Related Products
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