Cas no 458554-43-3 ( )
structure
Product Name:
CAS No:458554-43-3
MF:C16H16N2O
MW:252.311043739319
CID:930063
PubChem ID:730135
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- Cyclopropanecarboxamide, N-[4-(phenylamino)phenyl]- (9CI)
- N-(4-Anilinophenyl)cyclopropanecarboxamide
- SR-01000248454
- N-[4-(phenylamino)phenyl]cyclopropanecarboxamide
- Oprea1_389837
- SR-01000248454-1
- SMR000071523
- HMS2367J04
- Cyclopropanecarboxamide,N-[4-(phenylamino)phenyl]-(9ci)
- Q27209146
- HMS1585F17
- cid_730135
- MLS000099375
- STK002535
- CHEMBL1489834
- Z57205748
- AN-329/40924858
- 458554-43-3
- BDBM41115
- AKOS000491610
- N-(4-phenylazanylphenyl)cyclopropanecarboxamide
- CHEBI:120948
- Oprea1_452995
-
-
- Inchi： 1S/C16H16N2O/c19-16(12-6-7-12)18-15-10-8-14(9-11-15)17-13-4-2-1-3-5-13/h1-5,8-12,17H,6-7H2,(H,18,19)
- InChI Key： MWPWBJOBJRJKKU-UHFFFAOYSA-N
- SMILES： O=C(C1CC1)NC1C=CC(=CC=1)NC1C=CC=CC=1
Computed Properties
- Exact Mass: 252.126263138g/mol
- Monoisotopic Mass: 252.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 300
- 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: 41.1?2
Related Literature
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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