| CAS Number | 1039862-68-4 |
| Catalog Number | AG019XUT |
| Chemical Name | 3-[(2-phenylethoxy)methyl]aniline |
| IUPAC Name | 3-(2-phenylethoxymethyl)aniline |
| InChI | InChI=1S/C15H17NO/c16-15-8-4-7-14(11-15)12-17-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12,16H2 |
| InChI Key | ZEYCXHQIDKKZBW-UHFFFAOYSA-N |
| MDL Number | MFCD11196403 |
| Molecular Formula | C15H17NO |
| Molecular Weight | 227.3016 |
| SMILES | NC1=CC(COCCC2=CC=CC=C2)=CC=C1 |
| Synonyms | 3-[(2-phenylethoxy)methyl]aniline,
1039862-68-4,
AC1Q51O7,
CTK7D9031,
ZINC20507915,
AKOS033203558,
MCULE-7153840582,
NE15109,
EN300-56088,
Z1262237373,
|
| Complexity | 201 |
| 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 | 5 |
| 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