Cas no 655224-92-3 (1-Piperidinecarboxylic acid, 4-(3-chloropropyl)-, 1,1-dimethylethyl ester)
655224-92-3 structure
Product Name:1-Piperidinecarboxylic acid, 4-(3-chloropropyl)-, 1,1-dimethylethyl ester
CAS No:655224-92-3
MF:C13H24ClNO2
MW:261.78816318512
CID:1688769
PubChem ID:71630010
Update Time:2025-04-21
1-Piperidinecarboxylic acid, 4-(3-chloropropyl)-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1-Piperidinecarboxylic acid, 4-(3-chloropropyl)-, 1,1-dimethylethyl ester
- AM101092
- tert-Butyl 4-(3-chloropropyl)piperidine-1-carboxylate
- DB-233818
- 655224-92-3
-
- Inchi： 1S/C13H24ClNO2/c1-13(2,3)17-12(16)15-9-6-11(7-10-15)5-4-8-14/h11H,4-10H2,1-3H3
- InChI Key： DHOGZGXKHUQLTK-UHFFFAOYSA-N
- SMILES： ClCCCC1CCN(C(=O)OC(C)(C)C)CC1
Computed Properties
- Exact Mass: 261.14972
- Monoisotopic Mass: 261.1495567g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 242
- 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: 3.2
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.54
1-Piperidinecarboxylic acid, 4-(3-chloropropyl)-, 1,1-dimethylethyl ester Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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