Cas no 58335-98-1 (5H-Dibenz[c,e]azepine,6,7-dihydro-6-(phenylmethyl)-)
![5H-Dibenz[c,e]azepine,6,7-dihydro-6-(phenylmethyl)- structure](https://ossimg.kuujia.com/scimg/58500/58335-98-1x500.png)
58335-98-1 structure
Product Name:5H-Dibenz[c,e]azepine,6,7-dihydro-6-(phenylmethyl)-
5H-Dibenz[c,e]azepine,6,7-dihydro-6-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 5H-Dibenz[c,e]azepine,6,7-dihydro-6-(phenylmethyl)-
- 6-benzyl-5,7-dihydrobenzo[d][2]benzazepine
- 6-Benzyl-6,7-dihydro-5H-dibenz(c,e)azepine
- 58335-98-1
- Ro 2-3420
- DTXSID50207067
- 5H-Dibenz(c,e)azepine, 6,7-dihydro-, 6-benzyl-
- BRN 0247351
- 6-benzyl-6,7-dihydro-5H-benzo[d][2]benzazepine
- 6-(Phenylmethyl)-5,7-dihydrobenzo[d][2]benzazepine
- 5H-Dibenz(c,e)azepine, 6-benzyl-6,7-dihydro-
-
- Inchi： 1S/C21H19N/c1-2-8-17(9-3-1)14-22-15-18-10-4-6-12-20(18)21-13-7-5-11-19(21)16-22/h1-13H,14-16H2
- InChI Key： JQNQBWAAUPNGJU-UHFFFAOYSA-N
- SMILES： N1(CC2C=CC=CC=2)CC2C=CC=CC=2C2C=CC=CC=2C1
Computed Properties
- Exact Mass: 285.15187
- Monoisotopic Mass: 285.152
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 322
- 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: 4.5
- Topological Polar Surface Area: 3.2?2
Experimental Properties
- Density: 1.127
- Boiling Point: 434.9°Cat760mmHg
- Flash Point: 192°C
- Refractive Index: 1.639
- PSA: 3.24
5H-Dibenz[c,e]azepine,6,7-dihydro-6-(phenylmethyl)- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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