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 |
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 |
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 |
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