| CAS Number | 1955498-45-9 |
| Catalog Number | AG01C43B |
| Chemical Name | tert-butyl N-{[4-(aminomethyl)-3-fluorophenyl]methyl}carbamate |
| IUPAC Name | tert-butyl N-[[4-(aminomethyl)-3-fluorophenyl]methyl]carbamate |
| InChI | InChI=1S/C13H19FN2O2/c1-13(2,3)18-12(17)16-8-9-4-5-10(7-15)11(14)6-9/h4-6H,7-8,15H2,1-3H3,(H,16,17) |
| InChI Key | PXMAERVCPKJVEN-UHFFFAOYSA-N |
| MDL Number | MFCD29991299 |
| Molecular Formula | C13H19FN2O2 |
| Molecular Weight | 254.3006 |
| SMILES | CC(OC(NCC1=CC(F)=C(CN)C=C1)=O)(C)C |
| Synonyms | 1955498-45-9,
ZINC384074908,
tert-butyl 4-(aminomethyl)-3-fluorobenzylcarbamate,
tert-Butyl N-{[4-(aminomethyl)-3-fluorophenyl]methyl}carbamate,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.305g/mol |
| Monoisotopic Mass | 254.143g/mol |
| Rotatable Bond Count | 5 |
| 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