Cas no 748771-30-4 (Piperidine, 4-(3-chloropropyl)-1-methyl-)
748771-30-4 structure
Product Name:Piperidine, 4-(3-chloropropyl)-1-methyl-
CAS No:748771-30-4
MF:C9H18ClN
MW:175.69892168045
CID:1770576
PubChem ID:18723180
Update Time:2025-04-21
Piperidine, 4-(3-chloropropyl)-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Piperidine, 4-(3-chloropropyl)-1-methyl-
- 4-(3-chloropropyl)-1-methylpiperidine
- 748771-30-4
-
- Inchi： 1S/C9H18ClN/c1-11-7-4-9(5-8-11)3-2-6-10/h9H,2-8H2,1H3
- InChI Key： DMDYBPVLUVMYKR-UHFFFAOYSA-N
- SMILES： ClCCCC1CCN(C)CC1
Computed Properties
- Exact Mass: 175.11294
- Monoisotopic Mass: 175.1127773g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 97.7
- 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: 2.3
- Topological Polar Surface Area: 3.2?2
Experimental Properties
- PSA: 3.24
Piperidine, 4-(3-chloropropyl)-1-methyl- Related Literature
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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