| CAS Number | 1513795-19-1 |
| Catalog Number | AG01BH8E(AGN-PC-0WOUOB) |
| Chemical Name | 2-{[(2-chloropyridin-3-yl)methyl]amino}ethan-1-ol |
| IUPAC Name | 2-[(2-chloropyridin-3-yl)methylamino]ethanol |
| InChI | InChI=1S/C8H11ClN2O/c9-8-7(2-1-3-11-8)6-10-4-5-12/h1-3,10,12H,4-6H2 |
| InChI Key | NJXJFNLZGBNACW-UHFFFAOYSA-N |
| MDL Number | MFCD26675123 |
| Molecular Formula | C8H11ClN2O |
| Molecular Weight | 186.6387 |
| SMILES | OCCNCC1=C(Cl)N=CC=C1 |
| Synonyms | 2-{[(2-chloropyridin-3-yl)methyl]amino}ethan-1-ol,
1513795-19-1,
2-{[(2-chloropyridin-3-yl)methyl]amino}ethanol,
BBL036502,
STL490850,
ZINC83341241,
AKOS022985822,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.639g/mol |
| Monoisotopic Mass | 186.056g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 45.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number