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About This Item
Empirical Formula (Hill Notation):
CH3N5
CAS Number:
Molecular Weight:
85.07
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
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_germany
WGK 3
ppe
dust mask type N95 (US), Eyeshields, Gloves
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The tautomerism and intramolecular hydrogen shifts of 5-amino-tetrazole in the gas phase were studied in the present work. The minimum energy path (MEP) information of 5-amino-tetrazole was obtained at the CCSD(T)/6-311G**//MP2/6-311G** level of theory. The six possible tautomers of 1H
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Suresh L, et al.
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