| CAS Number | 887352-80-9 |
| Catalog Number | AG00GWBY(AGN-PC-0VNO5A) |
| Chemical Name | 3-Dibenzylamino-2-fluoropropionic acid benzyl ester |
| IUPAC Name | benzyl 3-(dibenzylamino)-2-fluoropropanoate |
| InChI | InChI=1S/C24H24FNO2/c25-23(24(27)28-19-22-14-8-3-9-15-22)18-26(16-20-10-4-1-5-11-20)17-21-12-6-2-7-13-21/h1-15,23H,16-19H2 |
| InChI Key | LWZWKAWTHAMCLH-UHFFFAOYSA-N |
| MDL Number | MFCD07367686 |
| Molecular Formula | C24H24FNO2 |
| Molecular Weight | 377.4513 |
| SMILES | FC(CN(CC1=CC=CC=C1)CC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1 |
| Synonyms | 887352-80-9,
Benzyl 3-N,N-Dibenzylamino-2-fluoropropanoate,
benzyl 3-(dibenzylamino)-2-fluoropropanoate,
3-Dibenzylamino-2-fluoropropionic acid, benzyl ester,
C24H24FNO2,
CTK7F4410,
2030AF,
AKOS005256369,
3-Dibenzylamino-2-fluoropropionic acid,
RTR-057677,
TR-057677,
FT-0662739,
X-4157,
3-Dibenzylamino-2-fluoropropionic acid, benzylester,
3-DIBENZYLAMINO-2-FLUOROPROPIONIC ACID BENZYL ESTER,
3-Dibenzylamino-2-fluoropropionic acid benzyl ester, AldrichCPR,
|
| Complexity | 420 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 377.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 377.459g/mol |
| Monoisotopic Mass | 377.179g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number