| CAS Number | 1423037-31-3 |
| Catalog Number | AG009X80(AGN-PC-0WADX4) |
| Chemical Name | Methyl 4-amino-3-(tert-butylamino)benzoate |
| IUPAC Name | methyl 4-amino-3-(tert-butylamino)benzoate |
| InChI | InChI=1S/C12H18N2O2/c1-12(2,3)14-10-7-8(11(15)16-4)5-6-9(10)13/h5-7,14H,13H2,1-4H3 |
| InChI Key | MCVMUVHFLYEHBK-UHFFFAOYSA-N |
| MDL Number | MFCD23135901 |
| Molecular Formula | C12H18N2O2 |
| Molecular Weight | 222.2835 |
| SMILES | COC(=O)c1ccc(c(c1)NC(C)(C)C)N |
| Synonyms | Methyl 4-amino-3-(tert-butylamino)benzoate,
1423037-31-3,
ZINC95217850,
AKOS021108861,
V3188,
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
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