| CAS Number | 152531-76-5 |
| Catalog Number | AG01BHBI(AGN-PC-040WYP) |
| Chemical Name | 2,4,5-trimethoxy-3-methylaniline |
| IUPAC Name | 2,4,5-trimethoxy-3-methylaniline |
| InChI | InChI=1S/C10H15NO3/c1-6-9(13-3)7(11)5-8(12-2)10(6)14-4/h5H,11H2,1-4H3 |
| InChI Key | RMKTWEGESQSYBS-UHFFFAOYSA-N |
| MDL Number | MFCD20694611 |
| Molecular Formula | C10H15NO3 |
| Molecular Weight | 197.2310 |
| SMILES | COC1=C(OC)C(C)=C(OC)C(N)=C1 |
| Synonyms | 2,4,5-trimethoxy-3-methylaniline,
152531-76-5,
ZINC145203167,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.234g/mol |
| Monoisotopic Mass | 197.105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number