| CAS Number | 183180-53-2 |
| Catalog Number | AG019SNE(AGN-PC-038B27) |
| Chemical Name | tert-Butyl 2-(3-aminophenyl)acetate |
| IUPAC Name | tert-butyl 2-(3-aminophenyl)acetate |
| InChI | InChI=1S/C12H17NO2/c1-12(2,3)15-11(14)8-9-5-4-6-10(13)7-9/h4-7H,8,13H2,1-3H3 |
| InChI Key | SCZSWYDHGXBSOV-UHFFFAOYSA-N |
| MDL Number | MFCD11695102 |
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.2689 |
| SMILES | CC(C)(OC(CC1=CC(N)=CC=C1)=O)C |
| Synonyms | tert-butyl 2-(3-aminophenyl)acetate,
183180-53-2,
SCHEMBL6180823,
tert-Butyl 3-aminophenylacetate,
SCZSWYDHGXBSOV-UHFFFAOYSA-N,
ZINC20154990,
AKOS000299222,
MCULE-3632589312,
NE46422,
3-Aminobenzene 1-acetic acid tert-butyl ester,
EN300-94397,
|
| 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 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number