Cas no 29216-89-5 (Benzamide,N-(aminocarbonyl)-3-methyl-)
29216-89-5 structure
Product Name:Benzamide,N-(aminocarbonyl)-3-methyl-
CAS No:29216-89-5
MF:C9H10N2O2
MW:178.187901973724
CID:277515
PubChem ID:207129
Update Time:2025-04-19
Benzamide,N-(aminocarbonyl)-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide,N-(aminocarbonyl)-3-methyl-
- N-carbamoyl-3-methylbenzamide
- Urea, m-toluoyl-
- SCHEMBL15328144
- m-Toluoylurea
- 29216-89-5
- BRN 2260615
- DTXSID30183476
- AKOS013520515
-
- Inchi： 1S/C9H10N2O2/c1-6-3-2-4-7(5-6)8(12)11-9(10)13/h2-5H,1H3,(H3,10,11,12,13)
- InChI Key： DIELRVHCSGVAJM-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=C(C)C=1)NC(N)=O
Computed Properties
- Exact Mass: 178.0743
- Monoisotopic Mass: 178.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 216
- 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: 1.9
- Topological Polar Surface Area: 72.2?2
Experimental Properties
- Density: 1.213
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.571
- PSA: 72.19
Benzamide,N-(aminocarbonyl)-3-methyl- Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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