| CAS Number | 128366-50-7 |
| Catalog Number | AG009ETU(AGN-PC-0O0UZP) |
| Chemical Name | 3-hydroxy Medetomidine |
| IUPAC Name | [3-[1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methanol |
| InChI | InChI=1S/C13H16N2O/c1-9-11(7-16)4-3-5-12(9)10(2)13-6-14-8-15-13/h3-6,8,10,16H,7H2,1-2H3,(H,14,15) |
| InChI Key | HTQCEFAVROSRIW-UHFFFAOYSA-N |
| MDL Number | MFCD24595923 |
| Molecular Formula | C13H16N2O |
| Molecular Weight | 216.2789 |
| SMILES | CC1=C(CO)C=CC=C1C(C)C2=CN=CN2 |
| Synonyms | 3-Hydroxy Medetomidine,
128366-50-7,
3-[1-(1H-Imidazol-5-yl)ethyl]-2-methylbenzenemethanol,
Hydroxy Medetomidine,
SCHEMBL787299,
SCHEMBL13258978,
DTXSID30565950,
FT-0669788,
J-005596,
{3-[1-(1H-Imidazol-5-yl)ethyl]-2-methylphenyl}methanol,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.284g/mol |
| Monoisotopic Mass | 216.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number