| CAS Number | 945389-41-3 |
| Catalog Number | AG01CCLT(AGN-PC-0WOZ8E) |
| Chemical Name | 2-(1,2,3,4-Tetrahydronaphthalen-1-yl)-1H-imidazole |
| IUPAC Name | 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole |
| InChI | InChI=1S/C13H14N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,8-9,12H,3,5,7H2,(H,14,15) |
| InChI Key | BLXFHJKHZWXNDP-UHFFFAOYSA-N |
| MDL Number | MFCD20668458 |
| Molecular Formula | C13H14N2 |
| Molecular Weight | 198.2637 |
| SMILES | C1(CCCC2=CC=CC=C12)C=1NC=CN1 |
| Synonyms | CHEMBL258007,
945389-41-3,
tetrahydronaphthyl imidazole,
SCHEMBL769101,
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole,
1H-Imidazole, 2-(1,2,3,4-tetrahydro-1-naphthalenyl)-,
BLXFHJKHZWXNDP-UHFFFAOYSA-N,
BDBM50377396,
rac-2-(1,2,3,4-tetrahydro-naphthalen-1-yl)-1h-imidazole,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.269g/mol |
| Monoisotopic Mass | 198.116g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number