Ethyl Tetrazole-5-carboxylate - CAS 55408-10-1
Catalog: |
BB029030 |
Product Name: |
Ethyl Tetrazole-5-carboxylate |
CAS: |
55408-10-1 |
Synonyms: |
2H-tetrazole-5-carboxylic acid ethyl ester; ethyl 2H-tetrazole-5-carboxylate |
IUPAC Name: | ethyl 2H-tetrazole-5-carboxylate |
Description: | Ethyl Tetrazole-5-carboxylate (CAS# 55408-10-1) is a reagent used in the preparation if pyrazole acids which has niacin receptor agonistic activity and is usefull for the treatment of dyslipidemia. |
Molecular Weight: | 142.12 |
Molecular Formula: | C4H6N4O2 |
Canonical SMILES: | CCOC(=O)C1=NNN=N1 |
InChI: | InChI=1S/C4H6N4O2/c1-2-10-4(9)3-5-7-8-6-3/h2H2,1H3,(H,5,6,7,8) |
InChI Key: | JBEHAOGLPHSQSL-UHFFFAOYSA-N |
Boiling Point: | 285.8 ℃ at 760 mmHg |
Melting Point: | 88-93ºC |
Flash Point: | 126.6ºC |
Density: | 1.395 g/cm3 |
LogP: | -0.62360 |
Refractive Index: | 1.528 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111943899-A | Synthesis method of 5-ethyl formate tetrazole | 20200908 |
US-2021130390-A1 | Cd73 inhibitors | 20191030 |
US-11130778-B2 | CD73 inhibitors | 20191030 |
US-2021214387-A1 | Cd73 inhibitors | 20191030 |
US-2021078999-A1 | Plasma kallikrein inhibitors and uses thereof | 20190918 |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.04907545 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.04907545 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 80.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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