Cas no 31516-11-7 (1,3-Bis(2,4-dimethylphenyl)urea)
31516-11-7 structure
Product Name:1,3-Bis(2,4-dimethylphenyl)urea
CAS No:31516-11-7
MF:C17H20N2O
MW:268.353504180908
CID:3064190
PubChem ID:800968
Update Time:2025-04-21
1,3-Bis(2,4-dimethylphenyl)urea Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Bis(2,4-dimethylphenyl)urea
- AKOS001415067
- CHEMBL77909
- 665-626-4
- N,N'-bis(2,4-dimethylphenyl)urea
- Cambridge id 6944514
- 1,3-di(2,4-xylyl)urea
- STK026729
- Z57225813
- SCHEMBL11350134
- 31516-11-7
-
- Inchi： 1S/C17H20N2O/c1-11-5-7-15(13(3)9-11)18-17(20)19-16-8-6-12(2)10-14(16)4/h5-10H,1-4H3,(H2,18,19,20)
- InChI Key： NVFVYWVOXRSTQB-UHFFFAOYSA-N
- SMILES： O=C(NC1C=CC(C)=CC=1C)NC1C=CC(C)=CC=1C
Computed Properties
- Exact Mass: 268.157563266Da
- Monoisotopic Mass: 268.157563266Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 301
- 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: 3.6
- Topological Polar Surface Area: 41.1?2
1,3-Bis(2,4-dimethylphenyl)urea Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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