| CAS Number | 1064288-38-5 |
| Catalog Number | AG00HAT7(AGN-PC-0WR355) |
| Chemical Name | 1-(4-Hydroxy-3,5-bis(morpholinomethyl)phenyl)ethanone |
| IUPAC Name | 1-[4-hydroxy-3,5-bis(morpholin-4-ylmethyl)phenyl]ethanone |
| InChI | InChI=1S/C18H26N2O4/c1-14(21)15-10-16(12-19-2-6-23-7-3-19)18(22)17(11-15)13-20-4-8-24-9-5-20/h10-11,22H,2-9,12-13H2,1H3 |
| InChI Key | YXKZSXVUDMSWES-UHFFFAOYSA-N |
| MDL Number | MFCD28657199 |
| Molecular Formula | C18H26N2O4 |
| Molecular Weight | 334.4100 |
| SMILES | O=Cc1cc(CN2CCOCC2)c(c(c1)CN1CCOCC1)O |
| Synonyms | 1064288-38-5,
1-(4-Hydroxy-3,5-bis(morpholinomethyl)phenyl)ethanone,
1-[4-Hydroxy-3,5-bis(4-morpholinylmethyl)phenyl]-ethanone,
|
| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.416g/mol |
| Monoisotopic Mass | 334.189g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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