| CAS Number | 808114-08-1 |
| Catalog Number | AG00517P(AGN-PC-00J92K) |
| Chemical Name | 2-methoxy-4-methyl-N-phenylaniline |
| IUPAC Name | 2-methoxy-4-methyl-N-phenylaniline |
| InChI | InChI=1S/C14H15NO/c1-11-8-9-13(14(10-11)16-2)15-12-6-4-3-5-7-12/h3-10,15H,1-2H3 |
| InChI Key | MRNHYRXWLNNLQC-UHFFFAOYSA-N |
| MDL Number | MFCD16877777 |
| Molecular Formula | C14H15NO |
| Molecular Weight | 213.2750 |
| SMILES | COC1=C(NC2=CC=CC=C2)C=CC(C)=C1 |
| Synonyms | 808114-08-1,
2-Methoxy-4-methyl-N-phenylaniline,
Benzenamine,2-methoxy-4-methyl-N-phenyl-,
CTK5E8169,
DTXSID10475200,
N-Phenyl-2-methoxy-4-methylaniline,
ZINC39109338,
AKOS030582746,
AG-H-25049,
2-methoxy-4-methyl-N-phenyl-aniline,
CID11984434,
Benzenamine, 2-methoxy-4-methyl-N-phenyl- (9CI),
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.28g/mol |
| Monoisotopic Mass | 213.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
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