Cas no 7498-34-2 (Piperidine,1,1'-(2-butyne-1,4-diyl)bis[4-methyl-)
7498-34-2 structure
Product Name:Piperidine,1,1'-(2-butyne-1,4-diyl)bis[4-methyl-
CAS No:7498-34-2
MF:C16H28N2
MW:248.406924247742
CID:577167
PubChem ID:348245
Update Time:2025-04-19
Piperidine,1,1'-(2-butyne-1,4-diyl)bis[4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-methyl-1-[4-(4-methylpiperidin-1-yl)but-2-ynyl]piperidine
- 7498-34-2
- NSC-407432
- DTXSID50324662
- NSC407432
- Piperidine,1,1'-(2-butyne-1,4-diyl)bis[4-methyl-
-
- Inchi： 1S/C16H28N2/c1-15-5-11-17(12-6-15)9-3-4-10-18-13-7-16(2)8-14-18/h15-16H,5-14H2,1-2H3
- InChI Key： SNISDSGGZVGUIM-UHFFFAOYSA-N
- SMILES： N1(CC#CCN2CCC(C)CC2)CCC(C)CC1
Computed Properties
- Exact Mass: 248.22544
- Monoisotopic Mass: 248.225
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 268
- 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: 2.9
- Topological Polar Surface Area: 6.5?2
Experimental Properties
- Density: 0.937
- Boiling Point: 342°Cat760mmHg
- Flash Point: 146.9°C
- Refractive Index: 1.495
- PSA: 6.48
Piperidine,1,1'-(2-butyne-1,4-diyl)bis[4-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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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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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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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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