| CAS Number | 229018-17-1 |
| Catalog Number | AG00C2GF(AGN-PC-09XXVW) |
| Chemical Name | 2-Hydroxymelatonin |
| IUPAC Name | N-[2-(2-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide |
| InChI | InChI=1S/C13H16N2O3/c1-8(16)14-6-5-10-11-7-9(18-2)3-4-12(11)15-13(10)17/h3-4,7,15,17H,5-6H2,1-2H3,(H,14,16) |
| InChI Key | CIEAUFSGHUWAMC-UHFFFAOYSA-N |
| MDL Number | MFCD30187118 |
| Molecular Formula | C13H16N2O3 |
| Molecular Weight | 248.2777 |
| SMILES | C(CNC(=O)C)c1c2c([nH]c1O)ccc(c2)OC |
| Synonyms | 2-hydroxymelatonin,
N-(2-(5-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl)ethyl)acetamide,
229018-17-1,
N-(2-(2-Hydroxy-5-methoxy-1H-indol-3-yl)ethyl)acetamide,
2-hydroxymelatonin,
SCHEMBL5439854,
AKOS027447613,
AK517805,
N-[2-(2-Hydroxy-5-methoxy-1H-indole-3-yl)ethyl]acetamide,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.282g/mol |
| Monoisotopic Mass | 248.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 74.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number