| CAS Number | 1196152-13-2 |
| Catalog Number | AG000PBJ(AGN-PC-0WAL4R) |
| Chemical Name | Morpholine, 3-(trifluoromethyl)-, hydrochloride (1:1) |
| IUPAC Name | 3-(trifluoromethyl)morpholine;hydrochloride |
| InChI | InChI=1S/C5H8F3NO.ClH/c6-5(7,8)4-3-10-2-1-9-4;/h4,9H,1-3H2;1H |
| InChI Key | OHFRHIUJBMHGLQ-UHFFFAOYSA-N |
| MDL Number | MFCD13189489 |
| Molecular Formula | C5H9ClF3NO |
| Molecular Weight | 191.5793 |
| SMILES | FC(C1NCCOC1)(F)F.[H]Cl |
| Synonyms | 3-(trifluoromethyl)morpholine hydrochloride,
1196152-13-2,
(R)-3-(Trifluoromethyl)morpholine hydrochloride,
1430086-53-5,
SCHEMBL19259488,
MFCD13189489,
AKOS026743943,
AB68512,
MCULE-3620902905,
NE48916,
EN300-83298,
Morpholine, 3-(trifluoromethyl)-, hydrochloride (1:1),
C5H9ClF3NO,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.578g/mol |
| Monoisotopic Mass | 191.032g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number