Ethyl 2-(2-Methyl-2H-tetrazol-5-yl)acetate - CAS 89488-96-0
Catalog: |
BB039507 |
Product Name: |
Ethyl 2-(2-Methyl-2H-tetrazol-5-yl)acetate |
CAS: |
89488-96-0 |
Synonyms: |
2-(2-methyl-5-tetrazolyl)acetic acid ethyl ester; ethyl 2-(2-methyltetrazol-5-yl)acetate |
IUPAC Name: | ethyl 2-(2-methyltetrazol-5-yl)acetate |
Description: | Ethyl 2-(2-Methyl-2H-tetrazol-5-yl)acetate (CAS# 89488-96-0 ) is a useful research chemical. |
Molecular Weight: | 170.17 |
Molecular Formula: | C6H10N4O2 |
Canonical SMILES: | CCOC(=O)CC1=NN(N=N1)C |
InChI: | InChI=1S/C6H10N4O2/c1-3-12-6(11)4-5-7-9-10(2)8-5/h3-4H2,1-2H3 |
InChI Key: | JTHBWNLNZDXTKP-UHFFFAOYSA-N |
Boiling Point: | 299.2 °C at 760 mmHg |
Density: | 1.33 g/cm3 |
LogP: | -0.68430 |
Publication Number | Title | Priority Date |
WO-2007014008-A2 | Benzenesulfonamide inhibitor of ccr2 chemokine receptor | 20050722 |
WO-2007014054-A2 | Benzenesulfonamide inhibitor of ccr2 chemokine receptor | 20050722 |
EP-1896394-A1 | Substituted enaminones as nicotinic acetylcholine receptor modulators | 20050617 |
EP-1896394-B1 | Substituted enaminones as nicotinic acetylcholine receptor modulators | 20050617 |
US-2006293329-A1 | Substituted enaminones, their derivatives and uses thereof | 20050617 |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.08037557 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.08037557 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 69.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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