1-Benzyl-1H-tetrazole - CAS 6926-50-7
Catalog: |
BB033753 |
Product Name: |
1-Benzyl-1H-tetrazole |
CAS: |
6926-50-7 |
Synonyms: |
1-(phenylmethyl)tetrazole; 1-benzyltetrazole |
IUPAC Name: | 1-benzyltetrazole |
Description: | 1-Benzyl-1H-tetrazole (CAS# 6926-50-7 ) is a useful research chemical. |
Molecular Weight: | 160.18 |
Molecular Formula: | C8H8N4 |
Canonical SMILES: | C1=CC=C(C=C1)CN2C=NN=N2 |
InChI: | InChI=1S/C8H8N4/c1-2-4-8(5-3-1)6-12-7-9-10-11-12/h1-5,7H,6H2 |
InChI Key: | AQBHAXPSOCMLGV-UHFFFAOYSA-N |
LogP: | 0.72140 |
Publication Number | Title | Priority Date |
WO-2020247819-A2 | Methods of treatment with aminolevulinic acid synthase 2 (alas2) modulators | 20190607 |
TW-201942128-A | Peptide giant ring against Acinetobacter baumannii | 20180328 |
US-2020369653-A1 | 5-(2,5-bis(4-chloro-2-isopropylphenyl)thiophen-3-yl)-1h-tetrazole for the topical treatment of bacterial infections | 20171211 |
CN-105348324-A | Organophosphorus compounds containing tetrazole heterocycle and synthetic method and application of organophosphorus compound | 20151202 |
CN-105348324-B | Organic phosphorus compound and its synthetic method and application containing tetrazolium heterocycle | 20151202 |
PMID | Publication Date | Title | Journal |
20607324 | 20110201 | Towards non-peptide ANG II AT1 receptor antagonists based on urocanic acid: rational design, synthesis and biological evaluation | Amino acids |
21203033 | 20080719 | catena-Poly[[bis-[1-(2-hydroxy-ethyl)-1H-tetra-zole-κN]copper(II)]-di-μ-chlorido]: a powder study | Acta crystallographica. Section E, Structure reports online |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.074896272 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.074896272 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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