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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
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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.[1]
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Aquatic Chronic 3 - Desen. Expl. 4 - Eye Dam. 1
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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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
R S Damse et al.
Journal of hazardous materials, 166(2-3), 967-971 (2009-01-13)
This paper reports the suitability of a novel nitrogen rich compound, guanidinium-5-aminotetrazolate for RDX-based high-energy gun propellant formulations in respect of flame temperature as well as the burning rate characteristics. It has been found that the partial replacement of RDX
Young-Hyuk Joo et al.
Organic letters, 10(20), 4665-4667 (2008-09-26)
1-Substituted 5-aminotetrazoles were prepared in situ by an excellent reaction of cyanogen azide and primary amines to generate an imidoyl azide as an intermediate in acetonitrile/water. After cyclization, the intermediate gave 1-substituted aminotetrazole in good yield. This protocol also was
Yubo Li et al.
Magnetic resonance in chemistry : MRC, 50(1), 16-21 (2012-01-25)
The comparison of the gauge-including atomic orbital (GIAO) and the continuous set of gauge transformation methods for calculating nuclear magnetic chemical shifts (CSs) mainly at density functional levels of theory are presented. Isotropic (13) C and (15) N magnetic CS
Shen M, et al.
Chemistry Letters (Jpn), 43(8), 1239-1241 (2014)
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