| CAS Number | 1249236-95-0 |
| Catalog Number | AG009X7Z(AGN-PC-0WNOP5) |
| Chemical Name | Methyl 3-amino-4-(tert-butylamino)benzoate |
| IUPAC Name | methyl 3-amino-4-(tert-butylamino)benzoate |
| InChI | InChI=1S/C12H18N2O2/c1-12(2,3)14-10-6-5-8(7-9(10)13)11(15)16-4/h5-7,14H,13H2,1-4H3 |
| InChI Key | GPVIASMXBGDGOU-UHFFFAOYSA-N |
| MDL Number | MFCD14621798 |
| Molecular Formula | C12H18N2O2 |
| Molecular Weight | 222.2835 |
| SMILES | COC(=O)c1ccc(c(c1)N)NC(C)(C)C |
| Synonyms | methyl 3-amino-4-(tert-butylamino)benzoate,
1249236-95-0,
SCHEMBL17184369,
ZINC41046088,
AKOS010565344,
CJ-20288,
Z8840,
C12H18N2O2,
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| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.288g/mol |
| Monoisotopic Mass | 222.137g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number