| CAS Number | 17823-89-1 |
| Catalog Number | AG00VTL8(AGN-PC-0WBKKA) |
| Chemical Name | 3-[(4-methylphenyl)methoxy]aniline |
| IUPAC Name | 3-[(4-methylphenyl)methoxy]aniline |
| InChI | InChI=1S/C14H15NO/c1-11-5-7-12(8-6-11)10-16-14-4-2-3-13(15)9-14/h2-9H,10,15H2,1H3 |
| InChI Key | DCFWNBWAFKVXFO-UHFFFAOYSA-N |
| MDL Number | MFCD09036969 |
| Molecular Formula | C14H15NO |
| Molecular Weight | 213.2750 |
| SMILES | CC1=CC=C(COC2=CC(N)=CC=C2)C=C1 |
| Synonyms | 3-[(4-methylphenyl)methoxy]aniline,
17823-89-1,
3-((4-methylbenzyl)oxy)aniline,
3-[(4-METHYLBENZYL)OXY]ANILINE,
SCHEMBL4639670,
CTK6B8415,
ZINC9239432,
AKOS000132236,
MCULE-5376454934,
NE53861,
EN300-74191,
|
| Complexity | 199 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number