| CAS Number | 343319-03-9 |
| Catalog Number | AG007G6A(AGN-PC-0WB2QG) |
| Chemical Name | Benzyl 2-(tert-butylamino)acetate |
| IUPAC Name | benzyl 2-(tert-butylamino)acetate |
| InChI | InChI=1S/C13H19NO2/c1-13(2,3)14-9-12(15)16-10-11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3 |
| InChI Key | WGJVYWVEWCTCHX-UHFFFAOYSA-N |
| MDL Number | MFCD00239221 |
| Molecular Formula | C13H19NO2 |
| Molecular Weight | 221.2955 |
| SMILES | C(C)(C)(C)NCC(=O)OCC1=CC=CC=C1 |
| Synonyms | Benzyl 2-(tert-butylamino)acetate,
343319-03-9,
AC1MCRPS,
AC1Q1MNZ,
SCHEMBL394596,
N-tert-Butylglycine benzyl ester,
CTK4H2160,
DTXSID90380525,
ZINC159897,
MFCD00239221,
AKOS027382152,
BENZYL2- ACETATE,
CID2777442,
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| Complexity | 215 |
| 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 | 6 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number