| CAS Number | 98911-34-3 |
| Catalog Number | AG01AHY9(AGN-PC-00NMT1) |
| Chemical Name | Tert-butyl 2-(2-aminophenyl)acetate |
| IUPAC Name | tert-butyl 2-(2-aminophenyl)acetate |
| InChI | InChI=1S/C12H17NO2/c1-12(2,3)15-11(14)8-9-6-4-5-7-10(9)13/h4-7H,8,13H2,1-3H3 |
| InChI Key | PTYKJKMISAEJIZ-UHFFFAOYSA-N |
| MDL Number | MFCD11695255 |
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.2689 |
| SMILES | CC(OC(CC1=C(N)C=CC=C1)=O)(C)C |
| Synonyms | tert-butyl 2-(2-aminophenyl)acetate,
98911-34-3,
SCHEMBL5271185,
PTYKJKMISAEJIZ-UHFFFAOYSA-N,
ZINC20155666,
AKOS000297717,
MCULE-2935986677,
NE15271,
DA-39988,
FT-0766804,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.273g/mol |
| Monoisotopic Mass | 207.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number