Cas no 1566-97-8 (Benzoic acid,2-[[[[4-(ethoxycarbonyl)phenyl]amino]carbonyl]amino]-, methyl ester)
![Benzoic acid,2-[[[[4-(ethoxycarbonyl)phenyl]amino]carbonyl]amino]-, methyl ester structure](https://ossimg.kuujia.com/scimg/2000/1566-97-8x500.png)
1566-97-8 structure
Product Name:Benzoic acid,2-[[[[4-(ethoxycarbonyl)phenyl]amino]carbonyl]amino]-, methyl ester
CAS No:1566-97-8
MF:C18H18N2O5
MW:342.345924854279
CID:169904
PubChem ID:306309
Update Time:2025-04-19
Benzoic acid,2-[[[[4-(ethoxycarbonyl)phenyl]amino]carbonyl]amino]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-[[[[4-(ethoxycarbonyl)phenyl]amino]carbonyl]amino]-, methyl ester
- methyl 2-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate
- AC1L78M3
- MolPort-002-589-608
- NSC203987
- NSC-203987
- STK552314
- STOCK3S-69336
- DTXSID80308430
- 1566-97-8
- AKOS005479471
-
- Inchi： 1S/C18H18N2O5/c1-3-25-16(21)12-8-10-13(11-9-12)19-18(23)20-15-7-5-4-6-14(15)17(22)24-2/h4-11H,3H2,1-2H3,(H2,19,20,23)
- InChI Key： XJYOCDHWCQTCCH-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC(=CC=1)NC(NC1C=CC=CC=1C(=O)OC)=O)=O
Computed Properties
- Exact Mass: 342.12164
- Monoisotopic Mass: 342.122
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 7
- Complexity: 474
- 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: 3.3
- Topological Polar Surface Area: 93.7?2
Experimental Properties
- Density: 1.305
- Boiling Point: 419.1°Cat760mmHg
- Flash Point: 207.3°C
- Refractive Index: 1.629
- PSA: 93.73
Benzoic acid,2-[[[[4-(ethoxycarbonyl)phenyl]amino]carbonyl]amino]-, methyl ester Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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