5-Butyltetrazole - CAS 66281-98-9

Catalog:	BB032968
Product Name:	5-Butyltetrazole
CAS:	66281-98-9
Synonyms:	5-butyl-2H-tetrazole; 5-butyl-2H-tetrazole

Technical Data

Patents

Computed Properties

IUPAC Name:	5-butyl-2H-tetrazole
Description:	5-Butyl-2H-tetrazole can be used as reactant/reagent in efficient synthesis of hybrid fluorocarbon - hydrocarbon tetrazoles as potential fluorinated surfactants via alkylation of monosubstituted tetrazoles.
Molecular Weight:	126.16
Molecular Formula:	C5H10N4
Canonical SMILES:	CCCCC1=NNN=N1
InChI:	InChI=1S/C5H10N4/c1-2-3-4-5-6-8-9-7-5/h2-4H2,1H3,(H,6,7,8,9)
InChI Key:	PLHJRIBZRHLPLB-UHFFFAOYSA-N
LogP:	0.54230

Publication Number	Title	Priority Date
CN-111108111-A	Tetrazolylsilane compound, method for synthesizing same, and use thereof	20170922
KR-20200054197-A	Tetrazolsilane compound, method for synthesizing the compound, and use thereof	20170922
TW-201922763-A	Tetrazolium compound, synthesis method of the same and application thereof	20170922
WO-2019058773-A1	Tetrazolesilane compound, synthesis method of the compound and use thereof	20170922
EP-3686207-A1	Tetrazole silane compound, method for synthesizing said compound and use thereof	20170922

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Complexity:	75.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.090546336
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	126.090546336
Rotatable Bond Count:	3
Topological Polar Surface Area:	54.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2