Ethyl Tetrazole-5-carboxylate - CAS 55408-10-1
Catalog:
BB029030
Product Name:
Ethyl Tetrazole-5-carboxylate
CAS:
55408-10-1
Synonyms:
Ethyl 1H-tetrazole-5-carboxylate; 1H-Tetrazole-5-carboxylic acid ethyl ester
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BB029030
1 kg
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IUPAC Name: ethyl 2H-tetrazole-5-carboxylate
Description: Ethyl Tetrazole-5-carboxylate is a reagent used in the preparation if pyrazole acids which has niacin receptor agonistic activity and is useful 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 °C at 760 mmHg
Melting Point: 88-93°C
Flash Point: 126.6°C
Purity: 98%
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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