[4-(1H-1,2,4-Triazol-1-yl)phenyl]methanol - CAS 143426-50-0
Catalog: |
BB009601 |
Product Name: |
[4-(1H-1,2,4-Triazol-1-yl)phenyl]methanol |
CAS: |
143426-50-0 |
Synonyms: |
[4-(1,2,4-triazol-1-yl)phenyl]methanol; [4-(1,2,4-triazol-1-yl)phenyl]methanol |
IUPAC Name: | [4-(1,2,4-triazol-1-yl)phenyl]methanol |
Description: | [4-(1H-1,2,4-Triazol-1-yl)phenyl]methanol (CAS# 143426-50-0) is a useful research chemical. |
Molecular Weight: | 175.19 |
Molecular Formula: | C9H9N3O |
Canonical SMILES: | C1=CC(=CC=C1CO)N2C=NC=N2 |
InChI: | InChI=1S/C9H9N3O/c13-5-8-1-3-9(4-2-8)12-7-10-6-11-12/h1-4,6-7,13H,5H2 |
InChI Key: | KDBNYFBYMKEKAQ-UHFFFAOYSA-N |
Boiling Point: | 383 ℃ at 760 mmHg |
Melting Point: | 124-126 ℃ |
Purity: | 95 % |
Density: | 1.27 g/cm3 |
LogP: | 0.75960 |
GHS Hazard Statement: | H302 (100%): 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, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020039027-A1 | Pyrrolidine glycosidase inhibitors | 20180822 |
US-2021213005-A1 | Pyrrolidine glycosidase inhibitors | 20180822 |
EP-3475262-B1 | Bicyclic imidazole derivatives useful for the treatment of renal disease, cardiovascular diseases and fibrotic disorders | 20160628 |
EP-2473490-B1 | (thio)morpholine derivatives as s1p modulators | 20090831 |
US-2012220552-A1 | (thio)morpholine derivatives as s1p modulators | 20090831 |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.074561919 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.074561919 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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