| CAS Number | 1391054-64-0 |
| Catalog Number | AG01CC75(AGN-PC-0WH319) |
| Chemical Name | 2,2-Bis[4-[2-(diethylamino)ethoxy]phenyl]-1,2-diphenylethanone Dihydrochloride |
| IUPAC Name | 2,2-bis[4-[2-(diethylamino)ethoxy]phenyl]-1,2-diphenylethanone |
| InChI | InChI=1S/C38H46N2O3/c1-5-39(6-2)27-29-42-35-23-19-33(20-24-35)38(32-17-13-10-14-18-32,37(41)31-15-11-9-12-16-31)34-21-25-36(26-22-34)43-30-28-40(7-3)8-4/h9-26H,5-8,27-30H2,1-4H3 |
| InChI Key | BAWQPDLWUDPCID-UHFFFAOYSA-N |
| MDL Number | MFCD30186914 |
| Molecular Formula | C38H46N2O3 |
| Molecular Weight | 578.7834 |
| SMILES | CCN(CC)CCOc1ccc(cc1)C(C(=O)c2ccccc2)(c3ccccc3)c4ccc(OCCN(CC)CC)cc4 |
| Synonyms | 2,2-Bis[4-[2-(diethylamino)ethoxy]phenyl]-1,2-diphenylethanone Dihydrochloride,
ZINC77273451,
2,2-Bis[p-[2-(diethylamino)ethoxy]phenyl]-2-phenylacetophenone Dihydrochloride,
1391054-64-0,
|
| Complexity | 715 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 578.351g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 43 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 578.797g/mol |
| Monoisotopic Mass | 578.351g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 42A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.9 |
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Certificate of Analysis
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