| CAS Number | 1373502-92-1 |
| Catalog Number | AG00HUXR(AGN-PC-0WD8NA) |
| Chemical Name | tert-Butyl5-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate |
| IUPAC Name | tert-butyl 5-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate |
| InChI | InChI=1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-6-8(5-14)4-11(12,13)7-15/h8H,4-7,14H2,1-3H3 |
| InChI Key | PZRLKSYZJHAEEK-UHFFFAOYSA-N |
| MDL Number | MFCD21602018 |
| Molecular Formula | C11H20F2N2O2 |
| Molecular Weight | 250.2855 |
| SMILES | NCC1CC(CN(C1)C(=O)OC(C)(C)C)(F)F |
| Synonyms | 1373502-92-1,
TERT-BUTYL 5-(AMINOMETHYL)-3,3-DIFLUOROPIPERIDINE-1-CARBOXYLATE,
SCHEMBL12524864,
DTXSID10738221,
MFCD21602018,
AKOS027251609,
SB12531,
AS-39115,
tert-butyl5-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate,
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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 | 250.149g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.29g/mol |
| Monoisotopic Mass | 250.149g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number