Cas no 123557-14-2 (Benzoic acid, 3-nitro-4-[(2-phenylethyl)amino]-)
![Benzoic acid, 3-nitro-4-[(2-phenylethyl)amino]- structure](https://ossimg.kuujia.com/scimg/124000/123557-14-2x500.png)
123557-14-2 structure
Product Name:Benzoic acid, 3-nitro-4-[(2-phenylethyl)amino]-
CAS No:123557-14-2
MF:C15H14N2O4
MW:286.282663822174
CID:1215176
PubChem ID:14482255
Update Time:2025-04-20
Benzoic acid, 3-nitro-4-[(2-phenylethyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-nitro-4-[(2-phenylethyl)amino]-
- 3-nitro-4-(2-phenylethylamino)benzoic acid
- AKOS000214195
- DTXSID80560834
- Oprea1_791091
- SR-01000575260-1
- 123557-14-2
- 3-Nitro-4-[(2-phenylethyl)amino]benzoic acid
- SR-01000575260
-
- Inchi： 1S/C15H14N2O4/c18-15(19)12-6-7-13(14(10-12)17(20)21)16-9-8-11-4-2-1-3-5-11/h1-7,10,16H,8-9H2,(H,18,19)
- InChI Key： ZNJZOJLDCSIRMQ-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C(=O)O)C=CC=1NCCC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 286.09535693g/mol
- Monoisotopic Mass: 286.09535693g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 363
- 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: 3.8
- Topological Polar Surface Area: 95.2?2
Benzoic acid, 3-nitro-4-[(2-phenylethyl)amino]- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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