| CAS Number | 1155912-79-0 |
| Catalog Number | AG01AAAX |
| Chemical Name | 2-methyl-4-(1-phenylethoxy)aniline |
| IUPAC Name | 2-methyl-4-(1-phenylethoxy)aniline |
| InChI | InChI=1S/C15H17NO/c1-11-10-14(8-9-15(11)16)17-12(2)13-6-4-3-5-7-13/h3-10,12H,16H2,1-2H3 |
| InChI Key | LKDUICDNPUEDKC-UHFFFAOYSA-N |
| MDL Number | MFCD12410505 |
| Molecular Formula | C15H17NO |
| Molecular Weight | 227.3016 |
| SMILES | CC(C1=CC=CC=C1)OC1=CC(C)=C(N)C=C1 |
| Synonyms | 2-methyl-4-(1-phenylethoxy)aniline,
1155912-79-0,
AC1Q2BZ8,
AKOS009470098,
MCULE-5867427768,
NE30880,
EN300-67667,
Z1263529709,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.307g/mol |
| Monoisotopic Mass | 227.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number