Cas no 215368-24-4 (2-Azabicyclo[2.2.1]heptane-2-carboxylicacid, 5-hydroxy-, ethyl ester)
![2-Azabicyclo[2.2.1]heptane-2-carboxylicacid, 5-hydroxy-, ethyl ester structure](https://ossimg.kuujia.com/scimg/215500/215368-24-4x500.png)
215368-24-4 structure
Product Name:2-Azabicyclo[2.2.1]heptane-2-carboxylicacid, 5-hydroxy-, ethyl ester
CAS No:215368-24-4
MF:C9H15NO3
MW:185.220302820206
CID:243104
PubChem ID:20271665
Update Time:2025-04-19
2-Azabicyclo[2.2.1]heptane-2-carboxylicacid, 5-hydroxy-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Azabicyclo[2.2.1]heptane-2-carboxylicacid, 5-hydroxy-, ethyl ester
- 2-Azabicyclo[2.2.1]heptane-2-carboxylicacid,5-hydroxy-,ethylester(9CI)
- SCHEMBL10960054
- 215368-24-4
-
- Inchi： 1S/C9H15NO3/c1-2-13-9(12)10-5-6-3-7(10)4-8(6)11/h6-8,11H,2-5H2,1H3
- InChI Key： BYFMGIYYMQAIND-UHFFFAOYSA-N
- SMILES： OC1CC2CC1CN2C(=O)OCC
Computed Properties
- Exact Mass: 185.10500
- Monoisotopic Mass: 185.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 219
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 49.8A^2
- XLogP3: 0.5
Experimental Properties
- PSA: 49.77000
- LogP: 0.53590
2-Azabicyclo[2.2.1]heptane-2-carboxylicacid, 5-hydroxy-, ethyl ester Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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