| CAS Number | 201216-39-9 |
| Catalog Number | AG002D9M(AGN-PC-0O7381) |
| Chemical Name | Piperidine, 4-phenyl-1-(4-phenylbutyl)-, (2Z)-2-butenedioate (1:1) |
| IUPAC Name | (Z)-but-2-enedioic acid;4-phenyl-1-(4-phenylbutyl)piperidine |
| InChI | InChI=1S/C21H27N.C4H4O4/c1-3-9-19(10-4-1)11-7-8-16-22-17-14-21(15-18-22)20-12-5-2-6-13-20;5-3(6)1-2-4(7)8/h1-6,9-10,12-13,21H,7-8,11,14-18H2;1-2H,(H,5,6)(H,7,8)/b;2-1- |
| InChI Key | OASPNIMFGJVLES-BTJKTKAUSA-N |
| MDL Number | MFCD00209909 |
| Molecular Formula | C25H31NO4 |
| Molecular Weight | 409.5179 |
| SMILES | C(\C=C/C(=O)O)(=O)O.C1(=CC=CC=C1)C1CCN(CC1)CCCCC1=CC=CC=C1 |
| Synonyms | 4-PPBP MALEATE,
CHEMBL1788131,
201216-39-9,
207572-62-1,
Piperidine, 4-phenyl-1-(4-phenylbutyl)-, (2Z)-2-butenedioate (1:1),
SCHEMBL1604001,
HMS3675K06,
BN0775,
AKOS024458584,
PPBP maleate, >=98% (HPLC), powder,
4-Phenyl-1-(4-phenylbutyl)piperidine maleate,
SR-01000597897,
SR-01000597897-1,
4-PPBPMALEATE,
CID11682970,
IUPAC: But-2-enedioic Acid; 4-phenyl-1-(4-phenylbutyl)piperidine,
|
| Complexity | 399 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 409.225g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 409.526g/mol |
| Monoisotopic Mass | 409.225g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number