3,5-Diethyl-1H-1,2,4-triazole - CAS 7343-35-3
Catalog: |
BB054235 |
Product Name: |
3,5-Diethyl-1H-1,2,4-triazole |
CAS: |
7343-35-3 |
Synonyms: |
1H-1,2,4-Triazole, 3,5-diethyl-; 3,5-diethyl-1,2,4-triazole |
Related CAS: | 1609403-80-6 (hydrochloride)
|
IUPAC Name: | 3,5-diethyl-1H-1,2,4-triazole |
Molecular Weight: | 125.17 |
Molecular Formula: | C6H11N3 |
Canonical SMILES: | CCC1=NC(=NN1)CC |
InChI: | InChI=1S/C6H11N3/c1-3-5-7-6(4-2)9-8-5/h3-4H2,1-2H3,(H,7,8,9) |
InChI Key: | UGERGYDWQOPISO-UHFFFAOYSA-N |
Boiling Point: | 271.5±23.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.0±0.1 g/cm3 |
Complexity: | 84.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 125.095297364 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 125.095297364 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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