4-Amino-4H-1,2,4-triazole - CAS 584-13-4
Catalog: |
BB030030 |
Product Name: |
4-Amino-4H-1,2,4-triazole |
CAS: |
584-13-4 |
Synonyms: |
4H-1,2,4-Triazol-4-amine; 1,2,4-Triazol-4-ylamine; 1,2,4-Triazole-4-amine; 1-Amino-1,3,4-triazole; 1-Amino-1H-1,3,4-triazole; 4-Amino-1,2,4(4H)-triazole; 4-Amino-1,2,4-triazole; 4-Amino-4H-1,2,4-triazole; NSC 3263; NSC 7242; 4H-1,2,4-Triazole, 4-amino- |
IUPAC Name: | 1,2,4-triazol-4-amine |
Molecular Weight: | 84.08 |
Molecular Formula: | C2H4N4 |
Canonical SMILES: | C1=NN=CN1N |
InChI: | InChI=1S/C2H4N4/c3-6-1-4-5-2-6/h1-2H,3H2 |
InChI Key: | FMCUPJKTGNBGEC-UHFFFAOYSA-N |
Boiling Point: | 267.6±23.0°C at 760 mmHg |
Melting Point: | 81°C |
Purity: | ≥95% |
Density: | 1.59±0.1 g/cm3 |
Solubility: | Soluble in DMSO (Sparingly), Methanol (Slightly) |
Appearance: | White to Off-white Solid |
Storage: | Store at 2-8°C under inert atmosphere |
MDL: | MFCD00003099 |
LogP: | -0.42690 |
GHS Hazard Statement: | H302 (36.96%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2015315092-A1 | Increased longevity of the nitrogen content of soil through improved liquid delivery formulations of nitrification inhibitors designed for urea and manure based fertilizers | 20140502 |
US-2015307779-A1 | Etchant and method of manufacturing display device by using the same | 20140428 |
US-2015267305-A1 | Etchant composition and method for manufacturing circuit pattern using the same | 20140321 |
WO-2015091898-A1 | Isoxazoline compositions and use thereof in the prevention or treatment of parasite infestations in animals | 20131220 |
WO-2015091900-A1 | Use of isoxazoline derivatives for the treatment or prevention of arthropod infestations in poultry | 20131220 |
PMID | Publication Date | Title | Journal |
23032912 | 20121114 | Vibrational properties of the polymeric spin crossover (SCO) Fe(II) complexes [{Fe(4-amino-1,2,4-triazole)3}X2]n: a nuclear inelastic scattering (NIS), Raman and DFT study | Physical chemistry chemical physics : PCCP |
22669185 | 20120601 | One-dimensional coordination polymers generated from a new triazole bridging ligand and HgX2 (X = Cl, Br and I): characterization and luminescent properties | Acta crystallographica. Section C, Crystal structure communications |
22590240 | 20120501 | N-[4-(Dimethyl-amino)-benzyl-idene]-4H-1,2,4-triazol-4-amine | Acta crystallographica. Section E, Structure reports online |
22011716 | 20111207 | The 1-D polymeric structure of the [Fe(NH2trz)3](NO3)2·nH2O (with n = 2) spin crossover compound proven by single crystal investigations | Chemical communications (Cambridge, England) |
21797194 | 20110905 | Amination reaction on copper and germanium β-nitrocorrolates | Inorganic chemistry |
Complexity: | 38.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 84.043596145 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 84.043596145 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 56.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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