| CAS Number | 2137506-36-4 |
| Catalog Number | AG01EJLX |
| Chemical Name | tert-butyl 2-amino-2-(3-methylphenyl)acetate |
| IUPAC Name | tert-butyl 2-amino-2-(3-methylphenyl)acetate |
| InChI | InChI=1S/C13H19NO2/c1-9-6-5-7-10(8-9)11(14)12(15)16-13(2,3)4/h5-8,11H,14H2,1-4H3 |
| InChI Key | XFZIGNDYHHYZAQ-UHFFFAOYSA-N |
| MDL Number | MFCD31421774 |
| Molecular Formula | C13H19NO2 |
| Molecular Weight | 221.2955 |
| SMILES | CC1=CC(C(C(OC(C)(C)C)=O)N)=CC=C1 |
| Synonyms | tert-butyl 2-amino-2-(3-methylphenyl)acetate,
2137506-36-4,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.3g/mol |
| Monoisotopic Mass | 221.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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