2-(1-Adamantyl)-4,5-dihydro-1h-imidazole - CAS 52725-79-8
Catalog: |
BB075557 |
Product Name: |
2-(1-Adamantyl)-4,5-dihydro-1h-imidazole |
CAS: |
52725-79-8 |
Synonyms: |
2-(1-adamantyl)-4,5-dihydro-1H-imidazole; 2-[(3R,5S,7s)-adamantan-1-yl]-4,5-dihydro-1H-imidazole; 2-(1-Adamantyl)-2-imidazoline |
IUPAC Name: | 2-(1-adamantyl)-4,5-dihydro-1H-imidazole |
Molecular Weight: | 204.31 |
Molecular Formula: | C13H20N2 |
Canonical SMILES: | C1CN=C(N1)C23CC4CC(C2)CC(C4)C3 |
InChI: | InChI=1S/C13H20N2/c1-2-15-12(14-1)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2,(H,14,15) |
InChI Key: | ULJRIIBCZFQSPF-UHFFFAOYSA-N |
Solubility: | >30.6 ug/ml |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.162648646 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.162648646 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 24.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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