Cas no 114591-53-6 (Guanidine,N,N,N',N',N''-pentabutyl-)
114591-53-6 structure
Product Name:Guanidine,N,N,N',N',N''-pentabutyl-
CAS No:114591-53-6
MF:C21H45N3
MW:339.602105855942
CID:157020
PubChem ID:189218
Update Time:2025-04-19
Guanidine,N,N,N',N',N''-pentabutyl- Chemical and Physical Properties
Names and Identifiers
-
- Guanidine,N,N,N',N',N''-pentabutyl-
- 1,1,2,3,3-pentabutylguanidine
- pentabutylguanidin
- DTXSID7075181
- AXQUONJGMAVWJA-UHFFFAOYSA-N
- Guanidine, pentabutyl-
- penta-n-butylguanidine
- 114591-53-6
- SCHEMBL2233720
-
- Inchi: 1S/C21H45N3/c1-6-11-16-22-21(23(17-12-7-2)18-13-8-3)24(19-14-9-4)20-15-10-5/h6-20H2,1-5H3
- InChI Key: AXQUONJGMAVWJA-UHFFFAOYSA-N
- SMILES: N(CCCC)(CCCC)/C(=N/CCCC)/N(CCCC)CCCC
Computed Properties
- Exact Mass: 339.36165
- Monoisotopic Mass: 339.361348448g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 24
- Rotatable Bond Count: 17
- Complexity: 251
- 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: 6.1
- Topological Polar Surface Area: 18.8?2
Experimental Properties
- PSA: 18.84
Guanidine,N,N,N',N',N''-pentabutyl- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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