| CAS Number | 1258652-24-2 |
| Catalog Number | AG000OVF(AGN-PC-0WAJBY) |
| Chemical Name | 3-Amino-1-boc-3-(trifluoromethyl)azetidine |
| IUPAC Name | tert-butyl 3-amino-3-(trifluoromethyl)azetidine-1-carboxylate |
| InChI | InChI=1S/C9H15F3N2O2/c1-7(2,3)16-6(15)14-4-8(13,5-14)9(10,11)12/h4-5,13H2,1-3H3 |
| InChI Key | ORAKIPUXJZWAKD-UHFFFAOYSA-N |
| MDL Number | MFCD17480497 |
| Molecular Formula | C9H15F3N2O2 |
| Molecular Weight | 240.2228 |
| SMILES | O=C(N1CC(C(F)(F)F)(N)C1)OC(C)(C)C |
| Synonyms | 1258652-24-2,
tert-butyl 3-amino-3-(trifluoromethyl)azetidine-1-carboxylate,
3-AMINO-1-BOC-3-(TRIFLUOROMETHYL)AZETIDINE,
AC1Q1MWV,
KS-000006ZT,
MFCD17480497,
ZINC57219022,
AKOS024438450,
PB16729,
AS-51237,
CS-0048325,
EN300-89730,
Q-3727,
1-Azetidinecarboxylic acid, 3-amino-3-(trifluoromethyl)-, 1,1-dimethylethyl ester,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.226g/mol |
| Monoisotopic Mass | 240.109g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number