| CAS Number | 333749-57-8 |
| Catalog Number | AG00C9M6(AGN-PC-0WH3NR) |
| Chemical Name | a,a'-Bis[(2-Methoxyphenoxy)methyl]-1,4-piperazinediethanol |
| IUPAC Name | 1-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol |
| InChI | InChI=1S/C24H34N2O6/c1-29-21-7-3-5-9-23(21)31-17-19(27)15-25-11-13-26(14-12-25)16-20(28)18-32-24-10-6-4-8-22(24)30-2/h3-10,19-20,27-28H,11-18H2,1-2H3 |
| InChI Key | SBVOXBJBJCUZFP-UHFFFAOYSA-N |
| MDL Number | MFCD01849820 |
| Molecular Formula | C24H34N2O6 |
| Molecular Weight | 446.5366 |
| SMILES | COc1ccccc1OCC(CN1CCN(CC1)CC(COc1ccccc1OC)O)O |
| Synonyms | SBVOXBJBJCUZFP-UHFFFAOYSA-N,
BAS 02973609,
AC1MJWW9,
Oprea1_503117,
SCHEMBL2332160,
AKOS000646878,
MCULE-8350028695,
333749-57-8,
SR-01000469336,
SR-01000469336-1,
1,1'-(1,4-Piperazinediyl)bis[3-(2-methoxyphenoxy)-2-propanol],
1-[4-[2-hydroxy-3-(2-methoxy-phenoxy)-propyl]-piperazin-1-yl]-3-(2-methoxy-phenoxy)-propan-2-ol,
1-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol,
CID3144421,
|A,|A'-Bis[(2-Methoxyphenoxy)methyl]-1,4-piperazinediethanol,
|
| Complexity | 461 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 446.242g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 446.544g/mol |
| Monoisotopic Mass | 446.242g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 83.9A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number