| CAS Number | 1466515-56-9 |
| Catalog Number | AG01ACCY(AGN-PC-0WO5E2) |
| Chemical Name | 3-Methylazetidine; trifluoroacetic acid |
| IUPAC Name | 3-methylazetidine;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C4H9N.C2HF3O2/c1-4-2-5-3-4;3-2(4,5)1(6)7/h4-5H,2-3H2,1H3;(H,6,7) |
| InChI Key | LGMIWHJPUJYAST-UHFFFAOYSA-N |
| MDL Number | MFCD26407950 |
| Molecular Formula | C6H10F3NO2 |
| Molecular Weight | 185.1443 |
| SMILES | CC1CNC1.OC(C(F)(F)F)=O |
| Synonyms | 3-methylazetidine; trifluoroacetic acid,
1466515-56-9,
AKOS026727852,
3-methylazetidine, trifluoroacetic acid,
NE37688,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.146g/mol |
| Monoisotopic Mass | 185.066g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number