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

Technical Data

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Computed Properties

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

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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