Cas no 70998-42-4 (Benzamide, 4-amino-N-(4-bromophenyl)-)
70998-42-4 structure
Product Name:Benzamide, 4-amino-N-(4-bromophenyl)-
CAS No:70998-42-4
MF:C13H11BrN2O
MW:291.143242120743
CID:546282
PubChem ID:3329362
Update Time:2025-04-19
Benzamide, 4-amino-N-(4-bromophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide, 4-amino-N-(4-bromophenyl)-
- 4-amino-N-(4-bromophenyl)benzamide
- DTXSID90391510
- 70998-42-4
- F70021
- AKOS000140546
-
- Inchi: 1S/C13H11BrN2O/c14-10-3-7-12(8-4-10)16-13(17)9-1-5-11(15)6-2-9/h1-8H,15H2,(H,16,17)
- InChI Key: JAANJKPYZTUMJB-UHFFFAOYSA-N
- SMILES: BrC1C=CC(=CC=1)NC(C1C=CC(=CC=1)N)=O
Computed Properties
- Exact Mass: 290.00553
- Monoisotopic Mass: 290.00548g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 256
- 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: 2.6
- Topological Polar Surface Area: 55.1?2
Experimental Properties
- PSA: 55.12
Benzamide, 4-amino-N-(4-bromophenyl)- Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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