| CAS Number | 1893851-99-4 |
| Catalog Number | AG01C05W |
| Chemical Name | tert-butyl N-[3-(aminomethyl)-5-fluorophenyl]carbamate |
| IUPAC Name | tert-butyl N-[3-(aminomethyl)-5-fluorophenyl]carbamate |
| InChI | InChI=1S/C12H17FN2O2/c1-12(2,3)17-11(16)15-10-5-8(7-14)4-9(13)6-10/h4-6H,7,14H2,1-3H3,(H,15,16) |
| InChI Key | KMNZOOXPIJZDBQ-UHFFFAOYSA-N |
| MDL Number | MFCD30497836 |
| Molecular Formula | C12H17FN2O2 |
| Molecular Weight | 240.2740 |
| SMILES | CC(OC(NC1=CC(CN)=CC(F)=C1)=O)(C)C |
| Synonyms | tert-butyl N-[3-(aminomethyl)-5-fluorophenyl]carbamate,
1893851-99-4,
ZINC258105375,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.278g/mol |
| Monoisotopic Mass | 240.127g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number