Cas no 876590-47-5 (tert-butyl 2-(3-chloropropyl)piperidine-1-carboxylate)
876590-47-5 structure
Product Name:tert-butyl 2-(3-chloropropyl)piperidine-1-carboxylate
CAS No:876590-47-5
MF:C13H24ClNO2
MW:261.78816318512
CID:2117236
PubChem ID:69247516
Update Time:2025-04-21
tert-butyl 2-(3-chloropropyl)piperidine-1-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- tert-butyl 2-(3-chloropropyl)piperidine-1-carboxylate
- 876590-47-5
- MLBWPVWFSNMXQP-UHFFFAOYSA-N
- t-butyl 2-(3-chloropropyl)-1-piperidinecarboxylate
- DA-40961
- SCHEMBL4935652
-
- Inchi： 1S/C13H24ClNO2/c1-13(2,3)17-12(16)15-10-5-4-7-11(15)8-6-9-14/h11H,4-10H2,1-3H3
- InChI Key： MLBWPVWFSNMXQP-UHFFFAOYSA-N
- SMILES： ClCCCC1CCCCN1C(=O)OC(C)(C)C
Computed Properties
- Exact Mass: 261.1495567Da
- Monoisotopic Mass: 261.1495567Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 250
- 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: 3.3
- Topological Polar Surface Area: 29.5?2
tert-butyl 2-(3-chloropropyl)piperidine-1-carboxylate Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
876590-47-5 (tert-butyl 2-(3-chloropropyl)piperidine-1-carboxylate) Related Products
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