| CAS Number | 78025-93-1 |
| Catalog Number | AG01A68D(AGN-PC-0NK4ZF) |
| Chemical Name | 3,5-Dimethoxy-4-methylaniline |
| IUPAC Name | 3,5-dimethoxy-4-methylaniline |
| InChI | InChI=1S/C9H13NO2/c1-6-8(11-2)4-7(10)5-9(6)12-3/h4-5H,10H2,1-3H3 |
| InChI Key | ILVRAUPHOFUERY-UHFFFAOYSA-N |
| MDL Number | MFCD20691409 |
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.2050 |
| SMILES | COC=1C=C(N)C=C(C1C)OC |
| Synonyms | 3,5-dimethoxy-4-methylaniline,
78025-93-1,
3,5-dimethoxy-4-methyl-aniline,
SCHEMBL148897,
ILVRAUPHOFUERY-UHFFFAOYSA-N,
ZINC39278976,
AKOS022637413,
Z2211231574,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.208g/mol |
| Monoisotopic Mass | 167.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number