Ethyl 1H-tetrazole-5-acetate - CAS 13616-37-0
Catalog: |
BB008309 |
Product Name: |
Ethyl 1H-tetrazole-5-acetate |
CAS: |
13616-37-0 |
Synonyms: |
ethyl 2-(2H-tetrazol-5-yl)acetate |
IUPAC Name: | ethyl 2-(2H-tetrazol-5-yl)acetate |
Description: | Ethyl 1H-tetrazole-5-acetate (CAS# 13616-37-0) is a useful research chemical. |
Molecular Weight: | 156.14 |
Molecular Formula: | C5H8N4O2 |
Canonical SMILES: | CCOC(=O)CC1=NNN=N1 |
InChI: | InChI=1S/C5H8N4O2/c1-2-11-5(10)3-4-6-8-9-7-4/h2-3H2,1H3,(H,6,7,8,9) |
InChI Key: | NAOHMNNTUFFTBF-UHFFFAOYSA-N |
Boiling Point: | 312.3 ℃ at 760 mmHg |
Density: | 1.337 g/cm3 |
Appearance: | White to off-white powder, crystals, crystalline powder and/or chunks |
LogP: | -0.69470 |
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 |
TW-202010750-A | Ectonucleotidase inhibitors and methods of use thereof | 20180621 |
US-2019389899-A1 | Ectonucleotidase inhibitors and methods of use thereof | 20180621 |
KR-20210024561-A | Ectonucleotidase inhibitors and methods of use thereof | 20180621 |
CN-112888696-A | Exonucleotidase inhibitors and methods of use thereof | 20180621 |
US-11078228-B2 | Ectonucleotidase inhibitors and methods of use thereof | 20180621 |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.06472551 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.06472551 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 80.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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