| CAS Number | 658683-23-9 |
| Catalog Number | AG01DLUS(AGN-PC-03KXH5) |
| Chemical Name | 2-(1-((tert-Butoxycarbonyl)amino)ethyl)benzoic acid |
| IUPAC Name | 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid |
| InChI | InChI=1S/C14H19NO4/c1-9(15-13(18)19-14(2,3)4)10-7-5-6-8-11(10)12(16)17/h5-9H,1-4H3,(H,15,18)(H,16,17) |
| InChI Key | DKYNPOSKMRUQJI-UHFFFAOYSA-N |
| MDL Number | MFCD31652834 |
| Molecular Formula | C14H19NO4 |
| Molecular Weight | 265.3050 |
| SMILES | O=C(O)C1=CC=CC=C1C(NC(OC(C)(C)C)=O)C |
| Synonyms | 2-(1-((tert-Butoxycarbonyl)amino)ethyl)benzoic acid,
658683-23-9,
SCHEMBL6094755,
CS-0059767,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.309g/mol |
| Monoisotopic Mass | 265.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number