(1-Methyl-1H-1,2,4-triazol-5-yl)methanol - CAS 91616-36-3
Catalog: |
BB053413 |
Product Name: |
(1-Methyl-1H-1,2,4-triazol-5-yl)methanol |
CAS: |
91616-36-3 |
Synonyms: |
(2-methyl-2h-[1,2,4]triazol-3-yl)-methanol; 1H-1,2,4-Triazole-5-methanol, 1-methyl-; 1-methyl-1,2,4-triazole-5-methanol; 3-Hydroxymethyl-2-methyl-1,2,4-triazole |
IUPAC Name: | (2-methyl-1,2,4-triazol-3-yl)methanol |
Molecular Weight: | 113.12 |
Molecular Formula: | C4H7N3O |
Canonical SMILES: | CN1C(=NC=N1)CO |
InChI: | InChI=1S/C4H7N3O/c1-7-4(2-8)5-3-6-7/h3,8H,2H2,1H3 |
InChI Key: | QUAQZVSGXQVIEP-UHFFFAOYSA-N |
Boiling Point: | 296.8±42.0°C (Predicted) |
Melting Point: | 66-67°C |
Purity: | 95% |
Density: | 1.33±0.1 g/cm3 (Predicted) |
Complexity: | 77.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 113.058911855 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 113.058911855 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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