5-(2-Hydroxyethyl)tetrazole - CAS 17587-08-5
Catalog: |
BB013173 |
Product Name: |
5-(2-Hydroxyethyl)tetrazole |
CAS: |
17587-08-5 |
Synonyms: |
2-(2H-tetrazol-5-yl)ethanol; 2-(2H-tetrazol-5-yl)ethanol |
IUPAC Name: | 2-(2H-tetrazol-5-yl)ethanol |
Description: | 5-(2-Hydroxyethyl)tetrazole (CAS# 17587-08-5) is a useful research chemical. |
Molecular Weight: | 114.11 |
Molecular Formula: | C3H6N4O |
Canonical SMILES: | C(CO)C1=NNN=N1 |
InChI: | InChI=1S/C3H6N4O/c8-2-1-3-4-6-7-5-3/h8H,1-2H2,(H,4,5,6,7) |
InChI Key: | HVKDTPAQOXWHHG-UHFFFAOYSA-N |
Boiling Point: | 359.9 ℃ at 760 mmHg |
Density: | 1.467 g/cm3 |
Appearance: | Off-white crystalline powder |
LogP: | -1.26550 |
GHS Hazard Statement: | H302 (50%): 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-2020222011-A1 | Itaconic acid derivatives and uses thereof in treating an inflammatory disease or a disease associated with an undesirable immune response | 20190430 |
AU-2018256423-A1 | PD-1/PD-L1 inhibitors | 20170420 |
BR-102018007822-A2 | compound, methods for inhibiting pd-1, pd-11 and / or interaction of pd-1 / pd-11 and for cancer treatment, pharmaceutical composition, and kit for treating or preventing cancer or a disease or condition | 20170420 |
CN-110799509-A | PD-1/PD-L1 inhibitors | 20170420 |
EP-3612525-A1 | Pd-1/pd-l1 inhibitors | 20170420 |
Complexity: | 68.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.05416083 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.05416083 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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