| CAS Number | 1495447-97-6 |
| Catalog Number | AG01AM1S |
| Chemical Name | 2,2-dimethyl-6-[3-(trifluoromethyl)phenyl]morpholine |
| IUPAC Name | 2,2-dimethyl-6-[3-(trifluoromethyl)phenyl]morpholine |
| InChI | InChI=1S/C13H16F3NO/c1-12(2)8-17-7-11(18-12)9-4-3-5-10(6-9)13(14,15)16/h3-6,11,17H,7-8H2,1-2H3 |
| InChI Key | BPWDLTKPJDXTPN-UHFFFAOYSA-N |
| MDL Number | MFCD20900302 |
| Molecular Formula | C13H16F3NO |
| Molecular Weight | 259.2674 |
| SMILES | CC1(OC(C2=CC(C(F)(F)F)=CC=C2)CNC1)C |
| Synonyms | 2,2-dimethyl-6-[3-(trifluoromethyl)phenyl]morpholine,
1495447-97-6,
AKOS014435211,
Z2213892961,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.272g/mol |
| Monoisotopic Mass | 259.118g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number