Cas no 71350-29-3 (Pyridine, 2-butyl-3-propyl-)
Pyridine, 2-butyl-3-propyl- structure
Product Name:Pyridine, 2-butyl-3-propyl-
CAS No:71350-29-3
MF:C12H19N
MW:177.28596329689
CID:545662
PubChem ID:12464559
Update Time:2025-04-19
Pyridine, 2-butyl-3-propyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyridine, 2-butyl-3-propyl-
- 2-butyl-3-propylpyridine
- 71350-29-3
- DTXSID90499303
- SCHEMBL13073704
-
- Inchi： 1S/C12H19N/c1-3-5-9-12-11(7-4-2)8-6-10-13-12/h6,8,10H,3-5,7,9H2,1-2H3
- InChI Key： BWWTZLIDWLHEPA-UHFFFAOYSA-N
- SMILES： N1C=CC=C(CCC)C=1CCCC
Computed Properties
- Exact Mass: 177.15187
- Monoisotopic Mass: 177.151749610g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 122
- 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: 3.9
- Topological Polar Surface Area: 12.9?2
Experimental Properties
- PSA: 12.89
Pyridine, 2-butyl-3-propyl- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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