| CAS Number | 1423037-24-4 |
| Catalog Number | AG009X7W(AGN-PC-0WADX2) |
| Chemical Name | Methyl 4-amino-3-(isopropylamino)benzoate |
| IUPAC Name | methyl 4-amino-3-(propan-2-ylamino)benzoate |
| InChI | InChI=1S/C11H16N2O2/c1-7(2)13-10-6-8(11(14)15-3)4-5-9(10)12/h4-7,13H,12H2,1-3H3 |
| InChI Key | YDUILGMVXKCUEV-UHFFFAOYSA-N |
| MDL Number | MFCD23135900 |
| Molecular Formula | C11H16N2O2 |
| Molecular Weight | 208.2569 |
| SMILES | COC(C1=CC(NC(C)C)=C(N)C=C1)=O |
| Synonyms | Methyl 4-amino-3-(isopropylamino)benzoate,
1423037-24-4,
ZINC95217846,
AKOS021109024,
V3183,
C11H16N2O2,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.261g/mol |
| Monoisotopic Mass | 208.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number