| CAS Number | 1185241-83-1 |
| Catalog Number | AG01DZW6 |
| Chemical Name | DPPEFumarate |
| IUPAC Name | 2-(4-benzylphenoxy)-N,N-diethylethanamine;(E)-but-2-enedioic acid |
| InChI | InChI=1S/C19H25NO.C4H4O4/c1-3-20(4-2)14-15-21-19-12-10-18(11-13-19)16-17-8-6-5-7-9-17;5-3(6)1-2-4(7)8/h5-13H,3-4,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ |
| InChI Key | ZOOMDYHTGZSGDD-WLHGVMLRSA-N |
| MDL Number | MFCD09878272 |
| Molecular Formula | C23H29NO5 |
| Molecular Weight | 399.4801 |
| SMILES | C(C=CC(=O)O)(=O)O.C(C1=CC=CC=C1)C1=CC=C(OCCN(CC)CC)C=C1 |
| Synonyms | DPPE FUMARATE,
1185241-83-1,
DPPEFumarate,
HMS3266P11,
HMS3675F17,
AKOS024458627,
SR-01000597885,
SR-01000597885-1,
N,N-Diethyl-2-[4-(phenylmethyl)phenoxy]ethanamine fumarate,
B5014,
|
| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 399.205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 399.487g/mol |
| Monoisotopic Mass | 399.205g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 87.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number