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方案
97%
mp
201-205 °C (lit.)
SMILES字符串
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
一般描述
5-Aminotetrazole (5-AT) can react with different 2-ethoxymethylidene-3-oxo esters and their analogs to form biologically important azaheterocycles.
警示用语：
Danger
危险声明
危险分类
Aquatic Chronic 3 - Desen. Expl. 4 - Eye Dam. 1
储存分类代码
11 - Combustible Solids
WGK
WGK 3
个人防护装备
dust mask type N95 (US), Eyeshields, Gloves
法规信息
新产品
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)
J Luznik et al.
Journal of magnetic resonance (San Diego, Calif. : 1997), 212(1), 149-153 (2011-07-26)
The use of Zeeman perturbed 14N nuclear quadrupole resonance (NQR) to determine the ν+ and ν-14N lines in polycrystalline samples with several nonequivalent nitrogen atoms was investigated. The 14N NQR line shift due to a weak external Zeeman magnetic field
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
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
The reactions of 2-ethoxymethylidene-3-oxo esters and their analogues with 5-aminotetrazole as a way to novel azaheterocycles.
Goryaeva MV, et al.
Beilstein Journal of Organic Chemistry, 11(1), 385-391 (2015)
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