| CAS Number | 83314-78-7 |
| Catalog Number | AG004T0P(AGN-PC-00MBT6) |
| Chemical Name | 3,3'-(Isopropylazanediyl)bis(1-(naphthalen-1-yloxy)propan-2-ol) |
| IUPAC Name | 1-[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylamino]-3-naphthalen-1-yloxypropan-2-ol |
| InChI | InChI=1S/C29H33NO4/c1-21(2)30(17-24(31)19-33-28-15-7-11-22-9-3-5-13-26(22)28)18-25(32)20-34-29-16-8-12-23-10-4-6-14-27(23)29/h3-16,21,24-25,31-32H,17-20H2,1-2H3 |
| InChI Key | MKZHJJQCUIZEDE-UHFFFAOYSA-N |
| MDL Number | MFCD31561982 |
| Molecular Formula | C29H33NO4 |
| Molecular Weight | 459.5766 |
| SMILES | OC(CN(C(C)C)CC(COC1=CC=CC2=C1C=CC=C2)O)COC3=CC=CC4=C3C=CC=C4 |
| Synonyms | 83314-78-7,
2-Propanol, 1,1'-[(1-methylethyl)imino]bis[3-(1-naphthalenyloxy)-,
3,3'-(Isopropylazanediyl)bis(1-(naphthalen-1-yloxy)propan-2-ol),
1,1'-[(1-Methylethyl)imino]bis[3-(1-naphthalenyloxy)-2-propanol,
Propranolol Impurity B,
CTK2I6281,
DTXSID90538125,
AKOS030254845,
1,1'-[(Propan-2-yl)azanediyl]bis{3-[(naphthalen-1-yl)oxy]propan-2-ol},
Propranolol EP Impurity B,
MKZHJJQCUIZEDE-UHFFFAOYSA-N,
CS-T-58203,
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| Complexity | 541 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 459.241g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 459.586g/mol |
| Monoisotopic Mass | 459.241g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
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Certificate of Analysis
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