| CAS Number | 1603409-00-2 |
| Catalog Number | AG01AFRZ |
| Chemical Name | rel-3-((2S,6R)-2,6-dimethylmorpholino)-5-fluoroaniline |
| IUPAC Name | 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoroaniline |
| InChI | InChI=1S/C12H17FN2O/c1-8-6-15(7-9(2)16-8)12-4-10(13)3-11(14)5-12/h3-5,8-9H,6-7,14H2,1-2H3/t8-,9+ |
| InChI Key | YCTPWEHIPGJMBJ-DTORHVGOSA-N |
| MDL Number | MFCD27500985 |
| Molecular Formula | C12H17FN2O |
| Molecular Weight | 224.2746 |
| SMILES | C[C@H]1CN(C[C@@H](C)O1)C1=CC(N)=CC(F)=C1 |
| Synonyms | 1603409-00-2,
3-[(2R,6S)-2,6-Dimethylmorpholin-4-yl]-5-fluoroaniline,
ZINC37666510,
BC5440263,
EN300-155471,
3-[2,6-dimethylmorpholin-4-yl]-5-fluoroaniline,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.132491g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.27g/mol |
| Monoisotopic Mass | 224.132491g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number