Cas no 62567-45-7 (3-(1-piperidinyl)-Pyridazine)
3-(1-piperidinyl)-Pyridazine structure
Product Name:3-(1-piperidinyl)-Pyridazine
CAS No:62567-45-7
MF:C9H13N3
MW:163.219621419907
CID:1115043
PubChem ID:10866658
Update Time:2025-04-20
3-(1-piperidinyl)-Pyridazine Chemical and Physical Properties
Names and Identifiers
-
- 3-(1-piperidinyl)-Pyridazine
- 62567-45-7
- DTXSID101310227
- 3-(1-Piperidinyl)pyridazine
- SCHEMBL1834829
-
- Inchi： 1S/C9H13N3/c1-2-7-12(8-3-1)9-5-4-6-10-11-9/h4-6H,1-3,7-8H2
- InChI Key： GOCQGHHDQKPGGC-UHFFFAOYSA-N
- SMILES： N1(C2=CC=CN=N2)CCCCC1
Computed Properties
- Exact Mass: 163.11109
- Monoisotopic Mass: 163.110947427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 132
- 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: 1.1
- Topological Polar Surface Area: 29?2
Experimental Properties
- PSA: 29.02
3-(1-piperidinyl)-Pyridazine Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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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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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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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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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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