Cas no 77585-89-8 (Urea,N-methyl-N'-(4-nitrophenyl)-N-phenyl-)
77585-89-8 structure
Product Name:Urea,N-methyl-N'-(4-nitrophenyl)-N-phenyl-
CAS No:77585-89-8
MF:C14H13N3O3
MW:271.271322965622
CID:580151
PubChem ID:270328
Update Time:2025-04-19
Urea,N-methyl-N'-(4-nitrophenyl)-N-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Urea,N-methyl-N'-(4-nitrophenyl)-N-phenyl-
- 1-methyl-3-(4-nitrophenyl)-1-phenylurea
- 1-Methyl-1-phenyl-3-< 4-nitro-phenyl> -harnstoff
- AC1L6OD0
- AC1Q1ZFH
- AG-J-49362
- AR-1C4469
- CTK5E4665
- N-Methyl-N'-(4-nitro-phenyl)-N-phenyl-harnstoff
- N-methyl-N'-(4-nitro-phenyl)-N-phenyl-urea
- NSC112710
- DTXSID00296926
- NSC-112710
- 77585-89-8
-
- Inchi： 1S/C14H13N3O3/c1-16(12-5-3-2-4-6-12)14(18)15-11-7-9-13(10-8-11)17(19)20/h2-10H,1H3,(H,15,18)
- InChI Key： VRTHQXNFFIFWHS-UHFFFAOYSA-N
- SMILES： O=C(NC1C=CC(=CC=1)[N+](=O)[O-])N(C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 271.09579
- Monoisotopic Mass: 271.096
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 342
- 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: 3.1
- Topological Polar Surface Area: 78.2?2
Experimental Properties
- Density: 1.354
- Boiling Point: 493°Cat760mmHg
- Flash Point: 252°C
- Refractive Index: 1.687
- PSA: 75.48
- LogP: 3.85930
Urea,N-methyl-N'-(4-nitrophenyl)-N-phenyl- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Vanessa dos Santos Pereira Montera,Camila Aparecida Borges Food Funct., 2021,12, 7699-7708
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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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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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