3,5-Diamino-1,2,4-triazole - CAS 1455-77-2
Catalog: |
BB009973 |
Product Name: |
3,5-Diamino-1,2,4-triazole |
CAS: |
1455-77-2 |
Synonyms: |
Guanazole; 3,5-Diamino-1H-1,2,4-triazole; 3,5-Diamino-s-triazole; NSC 166592; NSC 167391; NSC 167392; NSC 1895 |
Related CAS: | 503-88-8 (Deleted CAS)
|
IUPAC Name: | 1H-1,2,4-triazole-3,5-diamine |
Description: | 3,5-Diamino-1,2,4-triazole (CAS# 1455-77-2) is used as an inhibitor of DNA synthesis. It also serves as an antitumor agents in the treatment of epigenetically-based diseases. It acts as a corrosion inhibitor for copper. |
Molecular Weight: | 99.09 |
Molecular Formula: | C2H5N5 |
Canonical SMILES: | C1(=NC(=NN1)N)N |
InChI: | InChI=1S/C2H5N5/c3-1-5-2(4)7-6-1/h(H5,3,4,5,6,7) |
InChI Key: | PKWIYNIDEDLDCJ-UHFFFAOYSA-N |
Boiling Point: | 473.7±28.0°C at 760 mmHg |
Melting Point: | 205°C (dec.) |
Flash Point: | 271.6°C |
Purity: | ≥95% |
Density: | 1.686±0.06 g/cm3 |
Solubility: | Soluble in Water |
Appearance: | White Powder |
Storage: | Store at 2-8°C under inert atmosphere |
MDL: | MFCD00005233 |
LogP: | 0.13150 |
Refractive Index: | 1.809 |
Stability: | Stability Air sensitive. Reacts with acids and oxidizing agents. |
Vapor Pressure: | 3.85E-09mmHg at 25°C |
GHS Hazard Statement: | H302 (99.55%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113322476-A | Preparation method and application of silver-doped copper nanosheet catalyst | 20210705 |
CN-113416316-A | MOFs-zinc material and preparation method and application thereof | 20210628 |
CN-113244944-A | Co-based catalyst for preparing cyclohexanol by phenol hydrogenation and application method thereof | 20210616 |
CN-113351255-A | Co complex catalyst for preparing isobutyric acid by oxidizing isobutyraldehyde and application thereof | 20210616 |
UA-148916-U | HARDENER OF EPOXY RESINS | 20210511 |
PMID | Publication Date | Title | Journal |
22982389 | 20121201 | Metal based new triazoles: their synthesis, characterization and antibacterial/antifungal activities | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22925973 | 20121101 | Molecular structure and vibrational study of diprotonated guanazolium using DFT calculations and FT-IR and FT-Raman spectroscopies | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22544278 | 20120614 | A reversible SCSC transformation from a blue metamagnetic framework to a pink antiferromagnetic ordering layer exhibiting concomitant solvatochromic and solvatomagnetic effects | Dalton transactions (Cambridge, England : 2003) |
22489838 | 20120501 | Microwave-induced degradation of atrazine sorbed in mineral micropores | Environmental science & technology |
22100733 | 20120201 | New 1,2,4-triazole-based azo-azomethine dyes. Part I: synthesis, characterization and spectroscopic studies | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 63.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 99.05449518 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 99.05449518 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 93.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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