| CAS Number | 802027-25-4 |
| Catalog Number | AG01ACKU(AGN-PC-0WOC9O) |
| Chemical Name | 2-(1-Methyl-1H-imidazol-5-yl)ethan-1-ol |
| IUPAC Name | 2-(3-methylimidazol-4-yl)ethanol |
| InChI | InChI=1S/C6H10N2O/c1-8-5-7-4-6(8)2-3-9/h4-5,9H,2-3H2,1H3 |
| InChI Key | NFMVPDIGCAXICP-UHFFFAOYSA-N |
| MDL Number | MFCD09926304 |
| Molecular Formula | C6H10N2O |
| Molecular Weight | 126.1564 |
| SMILES | OCCC1=CN=CN1C |
| Synonyms | 2-(1-methyl-1H-imidazol-5-yl)ethan-1-ol,
802027-25-4,
SCHEMBL9597203,
ZINC44380100,
AKOS006311909,
NE22773,
|
| Complexity | 87.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.159g/mol |
| Monoisotopic Mass | 126.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number