Cas no 878630-97-8 (benzyl azepan-4-ylcarbamate)
benzyl azepan-4-ylcarbamate structure
Product Name:benzyl azepan-4-ylcarbamate
CAS No:878630-97-8
MF:C14H20N2O2
MW:248.320803642273
CID:2115690
PubChem ID:59027963
Update Time:2025-04-21
benzyl azepan-4-ylcarbamate Chemical and Physical Properties
Names and Identifiers
-
- benzyl azepan-4-ylcarbamate
- DA-35047
- Carbamic acid, N-(hexahydro-1H-azepin-4-yl)-, phenylmethyl ester
- benzyl N-(azepan-4-yl)carbamate
- Phenylmethyl N-(hexahydro-1H-azepin-4-yl)carbamate
- 878630-97-8
- DTXSID801229108
- SCHEMBL4072126
-
- Inchi： 1S/C14H20N2O2/c17-14(16-13-7-4-9-15-10-8-13)18-11-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2,(H,16,17)
- InChI Key： OYUPHPOSBVVVOJ-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C(NC1CCNCCC1)=O
Computed Properties
- Exact Mass: 248.152477885Da
- Monoisotopic Mass: 248.152477885Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 252
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 50.4?2
benzyl azepan-4-ylcarbamate Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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