Cas no 828300-48-7 (1-Piperidinecarboxylicacid, 3-cyano-2-methyl-, 1,1-dimethylethyl ester, (2R,3R)-rel-)
828300-48-7 structure
Product Name:1-Piperidinecarboxylicacid, 3-cyano-2-methyl-, 1,1-dimethylethyl ester, (2R,3R)-rel-
CAS No:828300-48-7
MF:C12H20N2O2
MW:224.299403190613
CID:716055
Update Time:2024-02-03
1-Piperidinecarboxylicacid, 3-cyano-2-methyl-, 1,1-dimethylethyl ester, (2R,3R)-rel- Chemical and Physical Properties
Names and Identifiers
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- 1-Piperidinecarboxylicacid, 3-cyano-2-methyl-, 1,1-dimethylethyl ester, (2R,3R)-rel-
- 1-Piperidinecarboxylicacid,3-cyano-2-methyl-,1,1-dimethylethylester,(2R,3R)-rel-(9CI)
- 1-Piperidinecarboxylic acid, 3-cyano-2-methyl-, 1,1-dimethylethyl ester, (2R,3R)-rel-
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- Inchi： 1S/C12H20N2O2/c1-9-10(8-13)6-5-7-14(9)11(15)16-12(2,3)4/h9-10H,5-7H2,1-4H3/t9-,10+/m1/s1
- InChI Key： HWOZEZOUTHQHSW-ZJUUUORDSA-N
- SMILES： N1(C(OC(C)(C)C)=O)CCC[C@@H](C#N)[C@H]1C
Computed Properties
- Exact Mass: 224.152
- Monoisotopic Mass: 224.152
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 311
- 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: 53.3A^2
1-Piperidinecarboxylicacid, 3-cyano-2-methyl-, 1,1-dimethylethyl ester, (2R,3R)-rel- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
828300-48-7 (1-Piperidinecarboxylicacid, 3-cyano-2-methyl-, 1,1-dimethylethyl ester, (2R,3R)-rel-) Related Products
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