Cas no 96817-69-5 (N-Didemethylbromadoline)
N-Didemethylbromadoline structure
Product Name:N-Didemethylbromadoline
CAS No:96817-69-5
MF:C13H17BrN2O
MW:297.190882444382
CID:804539
Update Time:2023-08-03
N-Didemethylbromadoline Chemical and Physical Properties
Names and Identifiers
-
- Benzamide,N-(2-aminocyclohexyl)-4-bromo-, trans- (9CI)
- N-didemethylbromadoline
- N-(2-aminocyclohexyl)-4-bromobenzamide
- Benzamide, N-(2-aminocyclohexyl)-4-bromo-, trans-,
- 4-Bromo-N-[(1beta,2alpha)-2-aminocyclohexyl]benzamide
- N-Didemethylbromadoline
-
- Inchi： 1S/C13H17BrN2O/c14-10-7-5-9(6-8-10)13(17)16-12-4-2-1-3-11(12)15/h5-8,11-12H,1-4,15H2,(H,16,17)/t11-,12-/m1/s1
- InChI Key： FDTVTLRRTCOLPL-VXGBXAGGSA-N
- SMILES： BrC1C=CC(=CC=1)C(N[C@@H]1CCCC[C@H]1N)=O
Computed Properties
- Exact Mass: 296.052426
- Monoisotopic Mass: 296.052426
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 264
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 55.1
Experimental Properties
- Density: 1.42
- Boiling Point: 442.9°Cat760mmHg
- Flash Point: 221.7°C
- Refractive Index: 1.607
N-Didemethylbromadoline Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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