2-(1-Methyl-1H-1,2,4-triazol-5-yl)ethanol - CAS 1380234-87-6
Catalog: |
BB008701 |
Product Name: |
2-(1-Methyl-1H-1,2,4-triazol-5-yl)ethanol |
CAS: |
1380234-87-6 |
Synonyms: |
2-(2-methyl-1,2,4-triazol-3-yl)ethanol; 2-(2-methyl-1,2,4-triazol-3-yl)ethanol |
IUPAC Name: | 2-(2-methyl-1,2,4-triazol-3-yl)ethanol |
Description: | 2-(1-Methyl-1H-1,2,4-triazol-5-yl)ethanol (CAS# 1380234-87-6) is a useful research chemical. |
Molecular Weight: | 127.14 |
Molecular Formula: | C5H9N3O |
Canonical SMILES: | CN1C(=NC=N1)CCO |
InChI: | InChI=1S/C5H9N3O/c1-8-5(2-3-9)6-4-7-8/h4,9H,2-3H2,1H3 |
InChI Key: | FNPYGOZWVCGLJB-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): 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 |
Complexity: | 88.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 127.074561919 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 127.074561919 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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