| CAS Number | 60287-69-6 |
| Catalog Number | AG01FO8W(AGN-PC-0NIEB8) |
| Chemical Name | 4-Methyl-2-phenoxyaniline |
| IUPAC Name | 4-methyl-2-phenoxyaniline |
| InChI | InChI=1S/C13H13NO/c1-10-7-8-12(14)13(9-10)15-11-5-3-2-4-6-11/h2-9H,14H2,1H3 |
| InChI Key | MBQYYHXCCOKJOQ-UHFFFAOYSA-N |
| MDL Number | MFCD08688319 |
| Molecular Formula | C13H13NO |
| Molecular Weight | 199.2484 |
| SMILES | CC1=CC(=C(C=C1)N)OC2=CC=CC=C2 |
| Synonyms | 4-METHYL-2-PHENOXYANILINE,
60287-69-6,
SCHEMBL10622163,
CTK6B7263,
Benzenamine, 4-methyl-2-phenoxy-,
ZINC14629720,
AKOS005264041,
TR-046367,
BB 0254022,
Z-1316,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.253g/mol |
| Monoisotopic Mass | 199.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number