Cas no 908333-98-2 (2H-1,2-Oxazocine-2-carboxylicacid, hexahydro-, 1,1-dimethylethyl ester)
908333-98-2 structure
Product Name:2H-1,2-Oxazocine-2-carboxylicacid, hexahydro-, 1,1-dimethylethyl ester
CAS No:908333-98-2
MF:C11H21NO3
MW:215.289343595505
CID:797955
PubChem ID:17750118
Update Time:2025-04-19
2H-1,2-Oxazocine-2-carboxylicacid, hexahydro-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2H-1,2-Oxazocine-2-carboxylicacid, hexahydro-, 1,1-dimethylethyl ester
- [1,2]Oxazocane-2-carboxylic acid tert-butyl ester
- N-Boc-1,2-oxazocane
- tert-Butyl 1,2-oxazocane-2-carboxylate
- DTXSID50590269
- 908333-98-2
-
- Inchi： 1S/C11H21NO3/c1-11(2,3)15-10(13)12-8-6-4-5-7-9-14-12/h4-9H2,1-3H3
- InChI Key： LKFOJDYFJRRXGM-UHFFFAOYSA-N
- SMILES： O1CCCCCCN1C(=O)OC(C)(C)C
Computed Properties
- Exact Mass: 215.152144
- Monoisotopic Mass: 215.152144
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 210
- 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
- Topological Polar Surface Area: 38.8
- XLogP3: 2.4
2H-1,2-Oxazocine-2-carboxylicacid, hexahydro-, 1,1-dimethylethyl ester Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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