550728
5-Aminotetrazole
97%
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About This Item
Empirical Formula (Hill Notation):
CH3N5
CAS Number:
Molecular Weight:
85.07
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
224-581-7
MDL number:
Assay:
97%
assay
97%
mp
201-205 °C (lit.)
SMILES string
Nc1nnn[nH]1
InChI
1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)
InChI key
ULRPISSMEBPJLN-UHFFFAOYSA-N
General description
5-Aminotetrazole (5-AT) can react with different 2-ethoxymethylidene-3-oxo esters and their analogs to form biologically important azaheterocycles.
signalword
Danger
hcodes
Hazard Classifications
Aquatic Chronic 3 - Desen. Expl. 4 - Eye Dam. 1
Storage Class
11 - Combustible Solids
wgk
WGK 3
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Ionic liquid-promoted multicomponent synthesis of fused tetrazolo [1, 5-a] pyrimidines as a-glucosidase inhibitors.
Suresh L, et al.
Bioorganic & Medicinal Chemistry Letters, 26(16), 4007-4014 (2016)
Jian-Guo Zhang et al.
Journal of molecular modeling, 14(5), 403-408 (2008-03-12)
The pathway and ab initio direct kinetics of the decomposition 5-aminotetrazole (5-ATZ) to HN(3) and NH(2)CN was investigated. Reactant, products and transition state were optimized with MP2 and B3LYP methods using 6-311G** and aug-cc-pVDZ basis sets. The intrinsic reaction coordinate
Hongyan Chen et al.
Journal of hazardous materials, 161(2-3), 1473-1477 (2008-06-17)
Five different nitrogen-rich salts of trinitrophloroglucinol (H(3)TNPG) have been prepared by the reaction of ammonia, aminoguanidine (AG), carbohydrazide (CHZ), semicarbazide (SCZ) and 5-aminotetrazo (ATZ) with trinitrophloroglucinol in aqueous solution through the heating method of water bath, with the yield up