| CAS Number | 161597-73-5 |
| Catalog Number | AG00HYOL(AGN-PC-0WR4CP) |
| Chemical Name | tert-Butyl N-[(1R)-2-iodo-1-phenylethyl]carbamate |
| IUPAC Name | tert-butyl N-[(1R)-2-iodo-1-phenylethyl]carbamate |
| InChI | InChI=1S/C13H18INO2/c1-13(2,3)17-12(16)15-11(9-14)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,16)/t11-/m0/s1 |
| InChI Key | GEWOWDIUBPAXGN-NSHDSACASA-N |
| MDL Number | MFCD17214615 |
| Molecular Formula | C13H18INO2 |
| Molecular Weight | 347.1920 |
| SMILES | IC[C@@H](c1ccccc1)NC(=O)OC(C)(C)C |
| Synonyms | 161597-73-5,
tert-butyl N-[(1R)-2-iodo-1-phenylethyl]carbamate,
SCHEMBL6569940,
N-(tert-Butoxycarbonyl)-N-[(R)-alpha-(iodomethyl)benzyl]amine,
tert-butyl 2-iodo-1-(r)-phenylethylcarbamate,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.196g/mol |
| Monoisotopic Mass | 347.038g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number