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 °C 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 |
-
Catalog: BB045654
((4-Ethyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl)thio)acetic acid
Detail
-
Catalog: BB045655
((5-[(4-Chloro-3-methyl-1H-pyrazol-1-yl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetic acid
Detail
-
Catalog: BB054256
((2S,4R)-2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methanol
Detail
-
Catalog: BB049236
(3-Amino-1H-1,2,4-triazol-1-yl)acetic acid
Detail
-
Catalog: BB037166
([1,2,4]Triazolo[4,3-b]pyridazin-6-yloxy)acetic acid
Detail
-
Catalog: BB054210
(4-Formyl-1H-[1,2,3]-triazol-1-yl)methyl pivalate
Detail
-
Catalog: BB046198
(4-Tetrazol-1-yl-phenyl)-acetic acid hydrazide
Detail
-
Catalog: BB052499
(3-Bromo-1H-1,2,4-triazol-1-yl)acetic acid
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Triazole/Tetrazole
-
[1005680-56-7]C13H16F3N5O2S
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
-
[1243250-13-6]C6H8BrN3O2
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate
-
[1823462-45-8]C8H12ClN3O2
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
-
[1823967-22-1]C7H10ClN3O2
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)propanoate
-
[86152-46-7]C6H10N4O2
Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate
-
[1823783-80-7]C8H12BrN3O2
Ethyl 4-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS