| CAS Number | 870812-94-5 |
| Catalog Number | AG00GXP6(AGN-PC-0CSEF6) |
| Chemical Name | 4-[(3R)-3-Amino-1-oxo-4-(phenylthio)butyl]morpholine |
| IUPAC Name | 3-amino-1-morpholin-4-yl-4-phenylsulfanylbutan-1-one |
| InChI | InChI=1S/C14H20N2O2S/c15-12(11-19-13-4-2-1-3-5-13)10-14(17)16-6-8-18-9-7-16/h1-5,12H,6-11,15H2 |
| InChI Key | GRCXARDDTSJXTN-UHFFFAOYSA-N |
| MDL Number | MFCD16251197 |
| Molecular Formula | C14H20N2O2S |
| Molecular Weight | 280.3858 |
| SMILES | N[C@@H](CSC1=CC=CC=C1)CC(=O)N1CCOCC1 |
| Synonyms | 3-Amino-1-morpholino-4-(phenylthio)butan-1-one,
870812-94-5,
AK160874,
SCHEMBL555019,
MFCD26967948,
AKOS024464493,
AS-40378,
AX8293913,
(R)-3-amino-1-morpholino-4-(phenylthio)butan-1-one,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.125g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.386g/mol |
| Monoisotopic Mass | 280.125g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number