| CAS Number | 926230-91-3 |
| Catalog Number | AG01AHCQ |
| Chemical Name | 3-[(3-Methylphenyl)methoxy]aniline |
| IUPAC Name | 3-[(3-methylphenyl)methoxy]aniline |
| InChI | InChI=1S/C14H15NO/c1-11-4-2-5-12(8-11)10-16-14-7-3-6-13(15)9-14/h2-9H,10,15H2,1H3 |
| InChI Key | PFDQOMBDBSBDAU-UHFFFAOYSA-N |
| MDL Number | MFCD09043142 |
| Molecular Formula | C14H15NO |
| Molecular Weight | 213.2750 |
| SMILES | CC1=CC(COC2=CC(N)=CC=C2)=CC=C1 |
| Synonyms | 3-[(3-methylphenyl)methoxy]aniline,
926230-91-3,
SCHEMBL4638480,
CTK6C1138,
ZINC21954327,
AKOS000126998,
NE31809,
3-[(3-METHYLBENZYL)OXY]ANILINE,
EN300-74326,
|
| Complexity | 207 |
| 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 | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number