3-(5-Phenyl-2H-tetraazol-2-yl)-1-adamantanecarbohydrazide - CAS 438220-62-3
Catalog: |
BB045932 |
Product Name: |
3-(5-Phenyl-2H-tetraazol-2-yl)-1-adamantanecarbohydrazide |
CAS: |
438220-62-3 |
Synonyms: |
3-(5-phenyl-2H-tetrazol-2-yl)tricyclo[3.3.1.13,7]decane-1-carbohydrazide |
IUPAC Name: | 3-(5-phenyltetrazol-2-yl)adamantane-1-carbohydrazide |
Description: | 3-(5-Phenyl-2H-tetraazol-2-yl)-1-adamantanecarbohydrazide (CAS# 438220-62-3 ) is a useful research chemical. |
Molecular Weight: | 338.4 |
Molecular Formula: | C18H22N6O |
Canonical SMILES: | C1C2CC3(CC1CC(C2)(C3)N4N=C(N=N4)C5=CC=CC=C5)C(=O)NN |
InChI: | InChI=1S/C18H22N6O/c19-20-16(25)17-7-12-6-13(8-17)10-18(9-12,11-17)24-22-15(21-23-24)14-4-2-1-3-5-14/h1-5,12-13H,6-11,19H2,(H,20,25) |
InChI Key: | VYAWWKGMLLNKPT-UHFFFAOYSA-N |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 534 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 338.18550935 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 338.18550935 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 98.7 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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